SCHEMBL29337065

SCHEMBL29337065

N#Cc1ccc(Sc2ccc(Br)cc2)c(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.62
MAOA P21397 6/20 0.62
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MCL1 Q07820 3/20 0.47
BCL2 P10415 2/20 0.39
BCL2L1 Q07817 1/20 0.39
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AR P10275 2/20 0.35
ERBB2 P04626 1/20 0.34
DHFR P00374 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
SCHEMBL10622196 0.83 CYP1A2 (0.49) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL29337103 0.79 MAOB (0.61) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL30909385 0.78 MAOB (0.56) MAOBMAOAMAPTHPGDALDH1A1
SCHEMBL20132302 0.78 MAOB (1.00) MAOBMAOAALDH1A1MCL1DHFR
SCHEMBL20389510 0.77 MAOB (0.66) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL27639056 0.77 MAOB (0.56) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL27557345 0.76 MAOB (0.48) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL31403204 0.73 MAOB (0.44) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL13239513 0.71 MAOA (0.56) MAOBMAOAMAPTMEN1KMT2A
SCHEMBL7760561 0.71 IMPDH2 (0.37) MAOBMAOAMAPTMEN1KMT2A

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