SCHEMBL7592402

SCHEMBL7592402

Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccc(F)c(F)c5)CC4)OC3=O)cc2)no1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
THRB P10828 1/20 0.45
POLB P06746 2/20 0.43
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIGMAR1 Q99720 7/20 0.39
MAOA P21397 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7386967 0.94 MAPT (0.44) MAPTTHRBPOLBTP53USP2
SCHEMBL7389136 0.89 SIGMAR1 (0.46) MAPTTHRBPOLBLMNATSHR
SCHEMBL7381271 0.89 SIGMAR1 (0.46) MAPTTHRBPOLBLMNAGAA
SCHEMBL7383868 0.89 THRB (0.44) MAPTTHRBPOLBTP53LMNA
SCHEMBL7379080 0.89 THRB (0.45) MAPTTHRBPOLBTP53USP2
SCHEMBL7389681 0.89 THRB (0.46) MAPTTHRBPOLBTP53LMNA
SCHEMBL7388647 0.88 MAPT (0.48) MAPTTHRBPOLBTP53LMNA
SCHEMBL7388914 0.88 THRB (0.46) MAPTTHRBLMNASIGMAR1MAOA
SCHEMBL7388548 0.88 MAPT (0.45) MAPTTHRBPOLBTP53LMNA
SCHEMBL7388713 0.87 THRB (0.46) MAPTTHRBPOLBLMNATSHR

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
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed