SCHEMBL8042767

SCHEMBL8042767

O=C(O)Cc1csc(Sc2nc[nH]n2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
GABRA5 P31644 1/20 0.45
GABRB2 P47870 1/20 0.45
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SCD O00767 2/20 0.33
PDE5A O76074 1/20 0.33

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
SCHEMBL8048138 0.77 POLB (0.49) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL10361187 0.75 HSD17B10 (0.59) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL9332045 0.72 HSD17B10 (0.56) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL9332036 0.72 HSD17B10 (0.56) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8043845 0.72 HSD17B10 (0.45) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL11591241 0.72 HSD17B10 (0.51) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8043482 0.71 SMN1; SMN2 (0.34) HSD17B10ALDH1A1HPGDLMNAGAA
SCHEMBL8044866 0.70 GRK6 (0.62) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL4672708 0.70 GAA (0.36) HSD17B10ALDH1A1KDM4EHPGDLMNA
SCHEMBL8033980 0.70 HSD17B10 (0.43) HSD17B10GABRA5GABRB2ALDH1A1KDM4E

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 1 patent. 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