SCHEMBL8032703

SCHEMBL8032703

O=C(O)c1sc(Sc2nnnn2-c2cccc(C(F)(F)F)c2)nc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
POLB P06746 4/20 0.44
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CPB1 P15086 1/20 0.38
HPGD P15428 2/20 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
SCHEMBL8043982 0.90 ALDH1A1 (0.47) KMT2APOLBALDH1A1L3MBTL1MAPT
SCHEMBL8033914 0.84 POLB (0.43) KMT2APOLBALDH1A1L3MBTL1MAPT
SCHEMBL8049019 0.84 RECQL (0.47) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8046748 0.83 RECQL (0.39) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8048302 0.83 KMT2A (0.39) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8047493 0.82 CYP1A2 (0.40) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8042019 0.81 ALDH1A1 (0.39) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL8048227 0.81 SMN1; SMN2 (0.48) KMT2APOLBALDH1A1L3MBTL1MAPT
SCHEMBL8046515 0.81 POLB (0.45) KMT2APOLBALDH1A1L3MBTL1MAPT
SCHEMBL8049007 0.81 KMT2A (0.45) KMT2APOLBALDH1A1L3MBTL1MAPT

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed