SCHEMBL14146367

SCHEMBL14146367

C=C(F)c1cccc(-c2nc(C)c(C(C)=O)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 9/20 0.51
ALDH1A1 P00352 5/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
NPC1 O15118 6/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL15655703 0.81 TRPM8 (0.75) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL30659931 0.81 KMT2A (0.74) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL29071267 0.81 KMT2A (0.74) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL28836012 0.81 KMT2A (0.74) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL29782929 0.81 KMT2A (0.74) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL3615192 0.80 SMN1; SMN2 (0.68) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL29782971 0.79 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL28836100 0.79 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL4740518 0.78 ALDH1A1 (0.81) KMT2ARAB9ASMN1; SMN2ALDH1A1TRPM8
SCHEMBL851866 0.77 SMN1; SMN2 (0.78) KMT2ARAB9ASMN1; SMN2ALDH1A1NPC1

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