SCHEMBL4739592

SCHEMBL4739592

Cc1cc(C=CC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc(C)c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 1/20 0.57
ATM Q13315 1/20 0.57
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
PPARA Q07869 9/20 0.51
PPARD Q03181 6/20 0.51
PPARG P37231 5/20 0.48
FFAR1 O14842 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47

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
SCHEMBL4739589 1.00 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4740729 0.87 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4740731 0.87 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4738834 0.85 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4738833 0.85 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL14146843 0.85 PPARA (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4741572 0.84 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4741574 0.84 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL14146505 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL4741587 0.80 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A

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