SCHEMBL7392425

SCHEMBL7392425

Cc1nc(-c2ccc(N3CC(CN4CCN(S(=O)(=O)c5ccccc5C(F)(F)F)CC4)OC3=O)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 1/20 0.43
GBA1 P04062 1/20 0.43
SIGMAR1 Q99720 4/20 0.42
LMNA P02545 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.39
LIPE Q05469 1/20 0.38
CHRM4 P08173 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX3 P56373 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
SCHEMBL7386638 0.89 THRB (0.47) THRBSIGMAR1LMNAMAPTP2RX3
SCHEMBL7390212 0.88 P2RX3 (0.43) THRBSIGMAR1LMNAMAPTLIPE
SCHEMBL7388878 0.87 MAPT (0.46) THRBKMT2AMEN1SIGMAR1LMNA
SCHEMBL7482907 0.86 THRB (0.44) THRBGBA1SIGMAR1TSHRHTT
SCHEMBL7378952 0.85 MAPT (0.44) THRBKMT2AMEN1GBA1SIGMAR1
SCHEMBL7388548 0.85 MAPT (0.45) THRBGBA1SIGMAR1LMNATSHR
SCHEMBL7380624 0.85 PKM (0.44) THRBKMT2AMEN1GBA1SIGMAR1
SCHEMBL27541037 0.85 THRB (0.41) THRBKMT2AMEN1GBA1LMNA
SCHEMBL7393171 0.84 THRB (0.42) THRBSIGMAR1LMNAHTTP2RX3
SCHEMBL7388914 0.84 THRB (0.46) THRBSIGMAR1LMNAMAPT

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