SCHEMBL4740491

SCHEMBL4740491

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)CCc1ccc(O)c(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 7/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
PPARA Q07869 3/20 0.46
NPC1 O15118 2/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
XDH P47989 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
GPR52 Q9Y2T5 2/20 0.39

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
SCHEMBL4739616 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKMT2AMEN1PPARA
SCHEMBL4739679 0.84 PPARA (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL14146335 0.84 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4739681 0.81 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL217561 0.79 HDAC6 (0.43) MAPTKMT2AMEN1
SCHEMBL4740738 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4740739 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4738885 0.78 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4741590 0.77 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4738817 0.77 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1

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
WO-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed