SCHEMBL4740518

SCHEMBL4740518

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

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.81
SMN1; SMN2 Q16637 3/20 0.81
KMT2A Q03164 4/20 0.66
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
RAB9A P51151 2/20 0.60
NPC1 O15118 2/20 0.60
HPGD P15428 2/20 0.60
PPARA Q07869 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.52
GAA P10253 2/20 0.52
XDH P47989 1/20 0.52
NR1H4 Q96RI1 1/20 0.50
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
GPR52 Q9Y2T5 1/20 0.47
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46

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
SCHEMBL979633 0.90 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL1198591 0.84 MAPT (0.81) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL4462657 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL15655703 0.82 TRPM8 (0.75) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL15656353 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL28836012 0.82 KMT2A (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL29782929 0.82 KMT2A (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL29071267 0.82 KMT2A (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL30659931 0.82 KMT2A (0.74) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1
Lithium Ion SCHEMBL27657109 0.81 MAPT (0.77) ALDH1A1SMN1; SMN2KMT2AMAPTMEN1

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