SCHEMBL5344839

SCHEMBL5344839

Clc1ccc(-c2[c]cc(Br)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
AHR P35869 3/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2A6 P11509 1/20 0.33
MCL1 Q07820 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
NOTUM Q6P988 1/20 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
SCHEMBL28526146 0.88 ALDH1A1 (0.34) CYP1A2AHRKMT2ANPSR1MEN1
SCHEMBL28033901 0.78 ALDH1A1 (0.48) NPC1RAB9AALDH1A1CYP2A6SMN1; SMN2
SCHEMBL11080352 0.75 MAPK1 (0.38) CYP1A2KMT2ANPSR1MEN1LMNA
SCHEMBL3869855 0.71 ALDH1A1 (0.55) CYP1A2AHRKMT2ANPSR1MEN1
SCHEMBL25815230 0.71 ALDH1A1 (0.55) CYP1A2AHRKMT2ANPSR1MEN1
SCHEMBL358844 0.71 ESR1 (0.40) KMT2ANPSR1MEN1NPC1RAB9A
SCHEMBL28089684 0.71 NPC1 (0.41) KMT2ANPC1RAB9ANOTUMMAPT
SCHEMBL27908025 0.71 MAOB (0.36) CYP1A2KMT2AMEN1NPC1LMNA
SCHEMBL28330244 0.71 ALDH1A1 (0.32) CYP1A2ALDH1A1
SCHEMBL358614 0.70 CYP1A2 (0.48) CYP1A2KMT2AMEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108424377-B Method for synthesizing asymmetric azoxybenzene compound 温州大学 2021-02-19 CN disclosed
CN-108689890-B Method for synthesizing asymmetric azoxybenzene compound 温州大学 2020-11-17 CN disclosed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed