SCHEMBL3073258

SCHEMBL3073258

c1ccc2[nH]c(-c3ncc[nH]3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 9/20 0.70
KDM4E B2RXH2 8/20 0.70
ALDH1A1 P00352 7/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
PKM P14618 4/20 0.70
HSD17B10 Q99714 4/20 0.70
TP53 P04637 4/20 0.70
ABCB11 O95342 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
HPGD P15428 4/20 0.59
METAP2 P50579 3/20 0.59
METAP1 P53582 2/20 0.59
LMNA P02545 1/20 0.59
MTOR P42345 1/20 0.59
GAA P10253 1/20 0.56
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13203396 0.88 NPC1 (0.60) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30634854 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30561047 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL172216 0.84 NPC1 (1.00) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Water SCHEMBL9817804 0.82 NPC1 (0.95) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL12676530 0.78 NPC1 (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16148219 0.78 NPC1 (0.55) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL4115146 0.78 NPC1 (0.50) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL17498733 0.77 HDAC1 (0.59) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30659968 0.77 NPC1 (0.69) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4110764-A1 SMALL MOLECULE INHIBITORS OF SCL15A4 WITH ANTI-INFLAMMATORY ACTIVITY The Scripps Research Institute (US) 2023-01-04 EP disclosed
CN-105884834-A Preparation method of novel Ru(II) complex containing benzoxazole imidazo[1,10]phenanthroline and light cracking activity thereof 江南大学 2016-08-24 CN disclosed
US-20110269071-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, CHEMICAL AMPLIFICATION RESIST COMPOSITION, AND RESIST FILM AND PATTERN FORMING METHOD USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-11-03 US disclosed
US-7833331-B2 Non-toxic corrosion-protection pigments based on cobalt UNIVERSITY OF DAYTON (US) 2010-11-16 US disclosed
US-7789958-B2 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON (US) 2010-09-07 US disclosed
US-20090163628-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON COBALT STURGILL JEFFREY ALLEN 2009-06-25 US disclosed
US-7537663-B2 Corrosion-inhibiting coating UNIVERSITY OF DAYTON (US) 2009-05-26 US disclosed
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
US-7422793-B2 Non-toxic corrosion-protection rinses and seals based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-09-09 US disclosed
US-7407711-B2 Non-toxic corrosion-protection conversion coats based on rare earth elements UNIVERSITY OF DAYTON (US) 2008-08-05 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed
EP-0196153-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP disclosed
US-4822880-A 1,1'-SUBSTITUTED 2,2'-BIIMIDAZOLE OR BIBENZIMIDAZOLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-18 US disclosed
US-4696801-A Process for the extraction of metal values with bisimidazole metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-29 US disclosed
EP-0196153-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP disclosed