SCHEMBL30956629

SCHEMBL30956629

Clc1nc(-c2ccc3c4ccccc4c4ccccc4c3c2)nc(-c2cccc3oc4ccccc4c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.39
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ALOX5 P09917 1/20 0.35
HPGD P15428 2/20 0.33
TNKS O95271 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL25586143 1.00 AHR (0.39) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL25586497 0.96 PLA2G2A (0.36) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL25586556 0.95 BACE1 (0.38) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL26048288 0.93 ALOX5 (0.38) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL27422914 0.93 AHR (0.40) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL25586043 0.93 AHR (0.38) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL24211968 0.92 AHR (0.45) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL26051996 0.92 AHR (0.42) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL25008987 0.90 ALDH1A1 (0.39) AHRBACE1KDM4EALDH1A1HSD17B10
SCHEMBL25586446 0.90 AHR (0.39) AHRBACE1KDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638439-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2025-10-29 EP disclosed
WO-2024133211-A1 NOVEL MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-06-27 WO disclosed