SCHEMBL8046012

SCHEMBL8046012

COc1ccc(-n2c(Sc3nc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cs3)nnc2-c2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPK1 P28482 3/20 0.44
MAPT P10636 3/20 0.44
PPARG P37231 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 5/20 0.44
USP2 O75604 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 5/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 3/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
ANXA2 P07355 2/20 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
SCHEMBL8042871 0.90 TSHR (0.44) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8046019 0.89 TSHR (0.43) NPSR1MEN1KMT2AMAPK1PPARG
SCHEMBL8033827 0.89 TSHR (0.52) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8051535 0.88 TSHR (0.42) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8043073 0.88 TSHR (0.42) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8041786 0.87 NPSR1 (0.55) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8034376 0.85 HSD17B10 (0.45) NPSR1MEN1KMT2AMAPK1PPARG
SCHEMBL8052217 0.85 LMNA (0.52) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8048527 0.84 PTGS2 (0.51) NPSR1MAPK1PPARGALDH1A1HSD17B10
SCHEMBL8042852 0.83 TSHR (0.48) NPSR1MEN1KMT2AMAPK1PPARG

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