SCHEMBL29337103

SCHEMBL29337103

N#Cc1cc(C#N)c(Sc2ccc(Br)cc2)c(C#N)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
MAOA P21397 8/20 0.61
MCL1 Q07820 1/20 0.49
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
AR P10275 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL29337065 0.79 MAOB (0.62) MAOBMAOAMCL1LMNAAR
SCHEMBL20132302 0.77 MAOB (1.00) MAOBMAOAMCL1TSHR
SCHEMBL20389510 0.73 MAOB (0.66) MAOBMAOAMCL1LMNAAR
SCHEMBL11638193 0.72 MAOB (0.59) MAOBMAOATSHRAR
SCHEMBL6517347 0.69 VCAM1 (0.38) TSHRMEN1KMT2ATTRALB
SCHEMBL27639056 0.69 MAOB (0.56) MAOBMAOAMCL1LMNAAR
SCHEMBL9352532 0.67 TTR (0.48) MAOBMAOATSHRMEN1KMT2A
SCHEMBL154636 0.66
Water SCHEMBL27994834 0.66 MAOB (0.73) MAOBMAOATSHR
SCHEMBL27923313 0.66 VCAM1 (0.35) MEN1KMT2ATTRALB

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-2024151172-A1 CYANODIPHENYL SULFONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AN EMISSIVE LAYER CONTAINING THEM, AN ELECTROLUMINESCENT DEVICE, AND THEIR USE Noctiluca S.A. (PL) 2024-07-18 WO disclosed