SCHEMBL29337092

SCHEMBL29337092

N#Cc1ccc(CCc2ccc(Br)cc2)c(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.41
FFAR1 O14842 2/20 0.38
DAO P14920 2/20 0.37
CYP19A1 P11511 1/20 0.37
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
HTR2A P28223 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.35
CYP2A6 P11509 1/20 0.35
SNCA P37840 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL9641171 0.74 MEN1 (0.44) FFAR1CYP19A1CYP2A6TSHRHSD17B10
SCHEMBL30468698 0.74 MEN1 (0.44) FFAR1CYP19A1CYP2A6TSHRHSD17B10
SCHEMBL3374034 0.73 GSK3B (0.37) FFAR1KCNH2HTR2ALOXL2CYP2A6
SCHEMBL15026004 0.73 MAOB (0.58) MAOBMAOADAOCYP19A1KCNJ1
SCHEMBL5523244 0.71 MAOB (0.45) MAOBMAOAFFAR1DAOTAAR1
SCHEMBL29273438 0.71 IMPDH2 (0.38) FFAR1CYP19A1KCNH2HTR2ALOXL2
SCHEMBL27526851 0.70 MPO (0.39) MAOBMAOAKCNH2SNCA
SCHEMBL17630107 0.70 CYP11B1 (0.47) MAOBMAOACYP19A1TSHR
SCHEMBL1004267 0.70 LOXL2 (0.64) MAOBMAOADAOCYP19A1KCNJ1
SCHEMBL24108415 0.70 IMPDH2 (0.37) FFAR1LOXL2CYP2A6SNCA

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