SCHEMBL7675993

SCHEMBL7675993

c1c[nH]c(-c2nc3ccccc3s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.50
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TSHR P16473 1/20 0.50
ILK Q13418 5/20 0.49
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
GAA P10253 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 2/20 0.49
APP P05067 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49

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
SCHEMBL25028304 0.84 KDM4E (0.37) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3183559 0.79 MAPT (0.58) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL827403 0.78 RAB9A (0.67) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2963044 0.77 MIF (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7142410 0.77 KDM4E (0.55) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
Hydrogen Sulfide SCHEMBL16859912 0.76 RAB9A (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL2749049 0.76 NPC1 (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL25028196 0.75 BCHE (0.36)
SCHEMBL31575873 0.75 RAB9A (0.46) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL29286191 0.74 ILK (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102448593-A High performance cross-linked polybenzoxazole and polybenzothiazole polymer membranes UOP LLC 2012-05-09 CN disclosed
CN-101351120-A Solid crop protection agents containing polyalkoxylate, method for their production and use thereof BASF SE (DE) 2009-01-21 CN disclosed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 US disclosed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 EP disclosed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 WO disclosed
US-5248782-A Fluorescent dyes MOLECULAR PROBES, INC. (US) 1993-09-28 US disclosed