SCHEMBL8045302

SCHEMBL8045302

COc1ccc(-n2c(Sc3nc(C)cs3)nnc2-c2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.54
MAPK1 P28482 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
PPARG P37231 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
HSD17B10 Q99714 7/20 0.51
TSHR P16473 5/20 0.51
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
USP2 O75604 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.42
PTGS2 P35354 1/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL8044256 0.89 TSHR (0.55) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8036965 0.88 TSHR (0.67) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8041786 0.87 NPSR1 (0.55) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8044388 0.87 TSHR (0.53) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8043754 0.85 TSHR (0.51) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8038014 0.85 TSHR (0.51) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8042241 0.85 NPSR1 (0.54) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8052217 0.84 LMNA (0.52) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8033548 0.83 NPSR1 (0.58) NPSR1MAPK1MEN1KMT2AMAPT
SCHEMBL8043015 0.83 NPSR1 (0.51) NPSR1MAPK1MEN1KMT2AMAPT

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