SCHEMBL9530449

SCHEMBL9530449

COc1ccc(-c2cc(SC)n(C)n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
AMY1A P0DUB6 4/20 0.38
PDGFRB P09619 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRNA7 P36544 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ERN1 O75460 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL9529172 0.82 F2RL3 (0.39) KDM4EPOLB
SCHEMBL7508249 0.80 KMO (0.39) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL8474290 0.80 ERN1 (0.41) RXFP1KDM4EPOLBAMY1APDGFRB
SCHEMBL8472019 0.76 KDM4E (0.37) KDM4EPOLBAMY1APDGFRBNPC1
SCHEMBL9529749 0.74 GRM5 (0.33)
SCHEMBL9532209 0.72 AMY1A (0.39) KDM4EPOLBAMY1APDGFRBERN1
SCHEMBL10340365 0.71 AMY1A (0.50) AMY1ARAB9AALDH1A1CYP1A2CYP2C9
SCHEMBL8440309 0.69 TRPV4 (0.36)
SCHEMBL3394134 0.68 PRKAB2 (0.45) RXFP1KDM4EPOLBAMY1AALDH1A1
SCHEMBL3846093 0.67 AMY1A (0.46) RXFP1KDM4EAMY1APDGFRBNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed