SCHEMBL8046532

SCHEMBL8046532

NS(=O)(=O)c1ccc(-n2c(Sc3ncc(Cl)s3)nnc2-c2cccs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 5/20 0.42
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA9 Q16790 7/20 0.40
CA4 P22748 5/20 0.40
CA12 O43570 2/20 0.40
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL8042043 0.87 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8044400 0.86 TSHR (0.46) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042723 0.86 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8033943 0.86 TSHR (0.61) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8043144 0.85 TSHR (0.50) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8046885 0.84 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8050287 0.83 HSD17B10 (0.53) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8048248 0.82 NPSR1 (0.51) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8033911 0.82 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8043564 0.82 TSHR (0.48) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2

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