SCHEMBL31542026

SCHEMBL31542026

Clc1cc(Cl)c2c(c1)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.51
CDK4 P11802 2/20 0.51
CCND1 P24385 2/20 0.51
CCNE1 P24864 2/20 0.51
CDK2 P24941 2/20 0.51
CAMK2B Q13554 2/20 0.51
CAMK2G Q13555 2/20 0.51
CAMK2D Q13557 2/20 0.51
CAMK2A Q9UQM7 2/20 0.51
PARP1 P09874 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GPR3 P46089 1/20 0.50
HSD17B10 Q99714 1/20 0.50
AHR P35869 2/20 0.48
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRA1 P14867 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48

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
SCHEMBL25399310 0.83 CDK4 (0.48) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL17727817 0.83 PARP1 (0.58) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL24032046 0.80 ALDH1A1 (0.50) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30490061 0.79 GABRP (0.61) CDK4CCND1PARP1ALDH1A1GPR3
SCHEMBL23502733 0.79 ALDH1A1 (0.54) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL6009673 0.79 GABRP (0.61) CDK4CCND1PARP1ALDH1A1GPR3
Ammonia Solution, Strong SCHEMBL28481259 0.78 GABRP (0.59) CDK4CCND1PARP1ALDH1A1GPR3
SCHEMBL18109779 0.77 CDK4 (0.60) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL4670015 0.75 AHR (0.64) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL30659227 0.75 AHR (0.64) CCNE2CDK4CCND1CCNE1CDK2

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-2025089188-A1 COMPOUND, LIGHT-EMITTING ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2025-05-01 WO disclosed