SCHEMBL6274633

SCHEMBL6274633

C=C1c2ccccc2C(=O)C1c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.76
MAPT P10636 7/20 0.76
NPC1 O15118 7/20 0.76
TP53 P04637 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
MAPK10 P53779 1/20 0.76
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPK1 P28482 1/20 0.52
HTR2B P41595 1/20 0.52
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
CYP19A1 P11511 3/20 0.44

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
SCHEMBL855370 0.87 RAB9A (1.00) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL1114899 0.76 RAB9A (0.47) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL14768931 0.73 RAB9A (0.72) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL6081740 0.70 RAB9A (0.43) RAB9AMAPTNPC1TP53SMN1; SMN2
Phenindione SCHEMBL33831 0.69 MAPT (1.00) RAB9AMAPTNPC1TP53SMN1; SMN2
Phenindione SCHEMBL29388073 0.69 MAPT (1.00) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL6607855 0.69 MAPT (0.65) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL11397716 0.69 MAPT (0.61) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL30568013 0.69 MAPT (0.61) RAB9AMAPTNPC1TP53SMN1; SMN2
SCHEMBL10559114 0.68 MAPT (0.95) RAB9AMAPTNPC1TP53SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608371-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES, LTD. (IN) 2005-12-28 EP claimed
WO-2004082685-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2004-09-30 WO claimed
EP-1608371-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES, LTD. (IN) 2005-12-28 EP disclosed
WO-2004082685-A1 PROCESS FOR THE PREPARATION OF DONEPEZIL AND DERIVATIVES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2004-09-30 WO disclosed
EP-0711756-B1 Process for the production of benzyl-piperidylmethyl-indanone BAYER AG (DE) 1998-07-22 EP disclosed
US-5606064-A Process for the preparation of benzyl-piperidylmethyl-indanones BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
EP-0711756-A1 Process for the production of benzyl-piperidylmethyl-indanone BAYER AG (DE) 1996-05-15 EP disclosed