SCHEMBL8041786

SCHEMBL8041786

COc1ccc(-n2c(Sc3nc(-c4ccccc4)cs3)nnc2-c2cccs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
MAPK1 P28482 3/20 0.52
MAPT P10636 2/20 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 5/20 0.52
TSHR P16473 5/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 6/20 0.49
HPGD P15428 3/20 0.49
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44

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
SCHEMBL8052217 0.92 LMNA (0.52) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8034357 0.91 TSHR (0.50) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8049124 0.90 TSHR (0.60) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8046012 0.87 NPSR1 (0.46) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8042464 0.87 TSHR (0.52) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8045302 0.87 NPSR1 (0.54) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8046331 0.86 TSHR (0.52) NPSR1KMT2AMEN1MAPK1PPARG
SCHEMBL8046090 0.86 TSHR (0.52) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8033884 0.85 KDM4E (0.50) NPSR1KMT2AMEN1MAPK1MAPT
SCHEMBL8050703 0.84 HSD17B10 (0.49) NPSR1KMT2AMEN1MAPK1MAPT

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