SCHEMBL4280056

SCHEMBL4280056

Cc1ccn(Cc2cc[c]cc2)c(=O)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TP53 P04637 4/20 0.43
MAPK14 Q16539 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA2A P29274 3/20 0.36
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1346298 0.83 MAPK14 (0.58) MAPTTP53MAPK14POLBKDM4E
SCHEMBL25852695 0.81 MAPT (0.43) MAPTTP53MAPK14POLBKDM4E
SCHEMBL29348734 0.80 ACHE (0.48) MAPTTP53MAPK14POLBKMT2A
SCHEMBL27383591 0.80 IDH1 (0.51) MAPTTP53KDM4EMEN1KMT2A
SCHEMBL27383784 0.78 POLB (0.59) MAPTTP53MAPK14POLBKDM4E
SCHEMBL25852518 0.77 MAPT (0.43) MAPTTP53MAPK14POLBHTT
SCHEMBL2552042 0.76 MAPT (0.44) MAPTTP53MAPK14POLBKDM4E
SCHEMBL3702168 0.76 KLKB1 (0.44) MAPTTP53MAPK14POLBKDM4E
SCHEMBL27383592 0.76 KMT2A (0.44) MAPTTP53MAPK14POLBKMT2A
SCHEMBL25857996 0.74 MAPT (0.42) MAPTTP53MAPK14POLBKDM4E

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-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed