SCHEMBL8043830

SCHEMBL8043830

NS(=O)(=O)c1ccc(-n2c(Sc3nc4ccccc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
HSD17B10 Q99714 5/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 3/20 0.44
PTGS1 P23219 1/20 0.44
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA9 Q16790 6/20 0.41

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
SCHEMBL8045522 0.88 PKM (0.44) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8045952 0.87 TSHR (0.59) TSHRHSD17B10KDM4EALDH1A1USP2
SCHEMBL8042290 0.86 CA1 (0.42) TSHRHSD17B10KDM4EALDH1A1USP2
SCHEMBL8051758 0.86 CA2 (0.47) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8043594 0.85 TSHR (0.43) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8046636 0.85 HSD17B10 (0.49) TSHRHSD17B10KDM4EALDH1A1USP2
SCHEMBL8033666 0.84 PTGS2 (0.45) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8033031 0.84 HSD17B10 (0.49) TSHRHSD17B10KDM4EALDH1A1USP2
SCHEMBL8042210 0.83 TSHR (0.47) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8032481 0.83 HSD17B10 (0.51) TSHRHSD17B10KDM4EALDH1A1USP2

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