SCHEMBL14939367

SCHEMBL14939367

O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 6/20 1.00
TP53 P04637 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
PTK2B Q14289 2/20 1.00
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
BRCA1 P38398 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NCF1 P14598 1/20 0.47
ESR1 P03372 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MAPK10 P53779 1/20 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
SCHEMBL27296322 0.77 TP53 (0.62) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL6224151 0.73 MAPT (0.57) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL27944720 0.73 TP53 (0.57) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL17075123 0.71 MAPT (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29392938 0.71 MAPT (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29462549 0.71 MAPT (0.56) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL2358320 0.71 MAPT (0.56) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL19610657 0.70 MAPT (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL17729217 0.70 TP53 (0.54) MAPTNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29699887 0.68 CYP1A2 (0.60) MAPTNPC1RAB9ATP53SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed