SCHEMBL8042871

SCHEMBL8042871

FC(F)(F)c1cc(-c2csc(Sc3nnc(-c4cccs4)n3-c3ccc(Oc4ccccc4)cc3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 8/20 0.44
KDM4E B2RXH2 4/20 0.44
NPSR1 Q6W5P4 5/20 0.40
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.38
PPARG P37231 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
NR2E3 Q9Y5X4 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.37
PTGS2 P35354 1/20 0.37
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL8033827 0.92 TSHR (0.52) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8046012 0.90 NPSR1 (0.46) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8034357 0.89 TSHR (0.50) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8051535 0.88 TSHR (0.42) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8046019 0.87 TSHR (0.43) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8034376 0.86 HSD17B10 (0.45) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8043073 0.85 TSHR (0.42) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8033884 0.85 KDM4E (0.50) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8048527 0.84 PTGS2 (0.51) TSHRALDH1A1MAPK1HSD17B10KDM4E
SCHEMBL8042852 0.82 TSHR (0.48) TSHRALDH1A1MAPK1HSD17B10KDM4E

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