SCHEMBL8046376

SCHEMBL8046376

CCc1ccccc1-n1c(Sc2nc3ccc(S(C)(=O)=O)cc3s2)nnc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
USP2 O75604 2/20 0.41
RAB9A P51151 2/20 0.41
CSNK1D P48730 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 5/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 4/20 0.39
ESR1 P03372 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.37
APLNR P35414 2/20 0.37

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
SCHEMBL8051920 0.88 TSHR (0.51) SMN1; SMN2USP2RAB9ACSNK1DALDH1A1
SCHEMBL8043995 0.86 SMN1; SMN2 (0.53) SMN1; SMN2USP2RAB9AALDH1A1HSD17B10
SCHEMBL8050258 0.86 ALDH1A1 (0.49) SMN1; SMN2USP2RAB9AALDH1A1HSD17B10
SCHEMBL8048048 0.85 HSD17B10 (0.43) SMN1; SMN2USP2RAB9AALDH1A1HSD17B10
SCHEMBL8044955 0.84 USP2 (0.48) SMN1; SMN2USP2RAB9ACSNK1DALDH1A1
SCHEMBL8051273 0.84 TSHR (0.42) SMN1; SMN2USP2RAB9ACSNK1DALDH1A1
SCHEMBL8045522 0.84 PKM (0.44) SMN1; SMN2RAB9ACSNK1DALDH1A1HSD17B10
SCHEMBL8043947 0.83 TSHR (0.44) SMN1; SMN2USP2RAB9AALDH1A1HSD17B10
SCHEMBL8044959 0.82 TSHR (0.45) SMN1; SMN2RAB9ACSNK1DALDH1A1HSD17B10
SCHEMBL8044199 0.82 TSHR (0.41) SMN1; SMN2USP2RAB9ACSNK1DALDH1A1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed