SCHEMBL8048014

SCHEMBL8048014

COc1ccc(-n2c(Sc3nc4ccc(C(=O)O)cc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.57
ALDH1A1 P00352 6/20 0.57
HPGD P15428 3/20 0.57
MAPK1 P28482 2/20 0.57
USP2 O75604 2/20 0.57
NPSR1 Q6W5P4 4/20 0.56
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PPARG P37231 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
NR2E3 Q9Y5X4 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
TSHR P16473 5/20 0.43
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8050857 0.92 HSD17B10 (0.48) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8042648 0.92 NPSR1 (0.48) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8042984 0.90 TSHR (0.50) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8043248 0.89 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8034389 0.88 RECQL (0.46) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8032397 0.88 HSD17B10 (0.44) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8042290 0.86 CA1 (0.42) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8051866 0.85 NPSR1 (0.46) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8033654 0.85 NPSR1 (0.52) HSD17B10ALDH1A1HPGDMAPK1USP2
SCHEMBL8045042 0.84 NPSR1 (0.46) HSD17B10ALDH1A1HPGDMAPK1USP2

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