SCHEMBL20664692

SCHEMBL20664692

N#Cc1cc(SCl)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.46
MAOA P21397 11/20 0.46
MCL1 Q07820 3/20 0.38
GRM4 Q14833 1/20 0.37
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 2/20 0.31

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
SCHEMBL15716037 0.80 MAOB (0.46) MAOBMAOAMCL1GRM4MEN1
SCHEMBL23141200 0.76 AR (0.45) MAOBMAOAMCL1KDM4EAR
SCHEMBL15716232 0.76 MAOB (0.49) MAOBMAOAKDM4ECYP1A2CYP3A4
SCHEMBL20756137 0.73 TRPV4 (0.53) MAOBMAOAKDM4EMEN1CYP1A2
SCHEMBL206187 0.72 CYP2A6 (0.44) MAOBMAOAMCL1GRM4KDM4E
SCHEMBL20755909 0.72 TRPV4 (0.52) MAOBMAOAAR
SCHEMBL22168373 0.72 TSHR (0.43) MAOBMAOAAR
SCHEMBL1343188 0.72 MAOB (0.44) MAOBMAOAMCL1GRM4MEN1
SCHEMBL31235647 0.70 MEN1 (0.43) MAOBMAOAGRM4MEN1KMT2A
SCHEMBL3836763 0.70 MEN1 (0.43) MAOBMAOAGRM4MEN1KMT2A

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
EP-3431474-A1 CHEMICAL COMPOUNDS Antabio SAS (FR) 2019-01-23 EP disclosed