SCHEMBL4741823

SCHEMBL4741823

COc1ccc(-c2nc(C)c(C(C)=O)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.70
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.58
ALOX5 P09917 2/20 0.57
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 4/20 0.56
TARBP2 Q15633 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
PPARA Q07869 1/20 0.53
PKM P14618 1/20 0.51
MDM2 Q00987 1/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51

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
SCHEMBL15679959 0.89 RAB9A (0.81) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL15656938 0.88 RAB9A (0.63) RAB9ASMN1; SMN2MAPTALDH1A1ALOX5
SCHEMBL3419091 0.88 RAB9A (0.74) RAB9ASMN1; SMN2MAPTALDH1A1ALOX5
SCHEMBL290403 0.87 APP (0.55) RAB9ASMN1; SMN2MAPTALDH1A1ALOX5
SCHEMBL3068544 0.86 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2MAPTALDH1A1ALOX5
SCHEMBL10996350 0.86 LMNA (0.58) RAB9ASMN1; SMN2MAPTALDH1A1ALOX5
SCHEMBL27589477 0.85 RAB9A (0.63) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28836113 0.85 RAB9A (0.77) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL15656858 0.84 RAB9A (0.74) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL15654609 0.83 RAB9A (0.72) RAB9ASMN1; SMN2MAPTALDH1A1KDM4E

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
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
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