SCHEMBL329474

SCHEMBL329474

[S]c1cc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
FLT3 P36888 1/20 0.48
CYP2A6 P11509 1/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 5/20 0.47
MAPT P10636 4/20 0.47
DAO P14920 2/20 0.47
HPGD P15428 2/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD4 O60885 1/20 0.47
DDO Q99489 1/20 0.47
CA2 P00918 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK1 O14757 1/20 0.44

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
SCHEMBL374022 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29631691 0.74 RAB9A (0.74) AOC3NPC1RAB9ALOXL2FLT3
Hydrochloric Acid SCHEMBL8595187 0.73 AOC3 (0.52) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL29377234 0.72 AOC3 (0.56) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL1388385 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL5395 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL4417665 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL274332 0.70 FLT3 (0.59) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL37667 0.70 AOC3 (1.00) AOC3NPC1RAB9ALOXL2FLT3
SCHEMBL7644722 0.70 AOC3 (0.54) AOC3NPC1RAB9ALOXL2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO claimed
US-4960880-A STEREOSPECIFIC SYNTHESIS OF B-LACTAM INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1990-10-02 US claimed
US-4614819-A REACTING A THIOL ESTER COMPOUND WITH 7-AMINOCEPHALOSPORIN IN PRESENCE OF BORON TRIFLUORIDE TOYAMA CHEMICAL CO., LTD. (JP) 1986-09-30 US claimed
EP-0053893-B1 DERIVATIVES OF CLAVULANIC ACID, THEIR PREPARATION AND THEIR USE BEECHAM GROUP PLC (GB) 1985-03-20 EP claimed
US-4472381-A Amino acid derivatives, methods of preparing said derivatives and antihypertensive drugs containing them AJINOMOTO COMPANY INCORPORATED (JP) 1984-09-18 US claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4200744-A Substituted 7α-methoxy-7β[(2,3-dioxo-1-piperazinyl)carbonylaminophenylacetamido]cephalosporins TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-04-29 US claimed
JP-11184050-A None JP disclosed
EP-4371979-A1 FORMAMIDE DERIVATIVE AND AGRICULTURAL OR HORTICULTURAL PLANT DISEASE CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2024-05-22 EP disclosed
EP-4366733-A1 TETRAHYDROPYRAZOLOPYRIDINE-ANALOG LIGANDS OF NLRX1 AND USES THEREOF LANDOS BIOPHARMA, INC. (US) 2024-05-15 EP disclosed
CN-117693500-A Carboxamide derivative and agricultural/horticultural plant disease control agent 组合化学工业株式会社 2024-03-12 CN disclosed
EP-3927427-B1 LANTHIONINE C-LIKE PROTEIN 2 LIGANDS, CELLS PREPARED THEREWITH, AND THERAPIES USING SAME NIMMUNE BIOPHARMA INC (US) 2024-02-07 EP disclosed
US-20230357744-A1 ENGINEERED TRYPTOPHAN DECARBOXYLASES AND USES THEREOF FOR SYNTHESIZING TRYPTAMINE ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-11-09 US disclosed
US-4200744-A Substituted 7α-methoxy-7β[(2,3-dioxo-1-piperazinyl)carbonylaminophenylacetamido]cephalosporins TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-04-29 US disclosed
US-4159984-A METAL AND PROTON DONOR SHIONOGI & CO., LTD. (JP) 1979-07-03 US disclosed
US-4129730-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-12-12 US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 US disclosed
US-4035380-A Certain benzazol-2-ylthio compounds CIBA-GEIGY AG (CH) 1977-07-12 US disclosed