SCHEMBL8044620

SCHEMBL8044620

O=C(O)c1sc(Sc2nnnn2-c2cccc3ccccc23)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 7/20 0.46
MEN1 O00255 6/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 5/20 0.44
ADRB2 P07550 1/20 0.41
LMNA P02545 3/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8042297 0.86 ALDH1A1 (0.40) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8043982 0.86 ALDH1A1 (0.47) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8032703 0.80 KMT2A (0.44) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8033650 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8042593 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8049019 0.80 RECQL (0.47) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8047493 0.80 CYP1A2 (0.40) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8042021 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8048302 0.79 KMT2A (0.39) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8033914 0.78 POLB (0.43) ALDH1A1HSD17B10KMT2AMEN1MAPT

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