SCHEMBL31566431

SCHEMBL31566431

Clc1cc2ccccc2cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.48
CYP2A6 P11509 6/20 0.44
AHR P35869 2/20 0.42
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX12 P18054 1/20 0.35
NQO2 P16083 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35

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
SCHEMBL1389495 1.00 CSNK2A1 (0.48) CSNK2A1CYP2A6AHRCYP1A2LMNA
SCHEMBL24028832 0.83 ALDH1A1 (0.58) CSNK2A1CYP2A6AHRCYP1A2LMNA
SCHEMBL9095175 0.80 CYP2A6 (0.55) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL7905169 0.80 CYP2A6 (0.55) CYP2A6AHRCYP1A2LMNATSHR
SCHEMBL29508953 0.80 CYP2A6 (0.55) CYP2A6AHRCYP1A2LMNATSHR
SCHEMBL29374851 0.80 CYP2A6 (0.55) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL24316330 0.75 CYP2A6 (0.41) CYP2A6CYP1A2LMNATSHRALDH1A1
SCHEMBL790036 0.75 CSNK2A1 (0.41) CSNK2A1AHR
SCHEMBL3465676 0.75 CYP2A6 (0.50) CYP2A6CYP1A2LMNATSHRMAPT
SCHEMBL5008807 0.75 CYP2A6 (0.50) CYP2A6CYP1A2LMNATSHRMAPT

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
CN-119968090-A Organic material layer composition of organic light emitting component and organic light emitting component comprising same LT素材株式会社 2025-05-09 CN disclosed