SCHEMBL8044199

SCHEMBL8044199

CN(C)c1ccc(-n2c(Sc3nc4ccc(S(C)(=O)=O)cc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
HSD17B10 Q99714 5/20 0.40
KDM4E B2RXH2 2/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PTGS2 P35354 1/20 0.38
CSNK1D P48730 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 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 0.91 TSHR (0.51) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8045522 0.90 PKM (0.44) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8051273 0.90 TSHR (0.42) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8032457 0.88 TSHR (0.41) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8051866 0.88 NPSR1 (0.46) TSHRHSD17B10KDM4ESMN1; SMN2LMNA
SCHEMBL8048233 0.88 HSD17B10 (0.45) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8043947 0.87 TSHR (0.44) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8048037 0.86 PDK1 (0.44) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8044959 0.85 TSHR (0.45) TSHRHSD17B10KDM4ERECQLSMN1; SMN2
SCHEMBL8034389 0.85 RECQL (0.46) TSHRHSD17B10KDM4ERECQLSMN1; 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