SCHEMBL16397780

SCHEMBL16397780

c1ccc2c(c1)[nH]c1cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)ccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ KIF11 P52732 11/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TP53 P04637 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL16397572 0.97 AHR (0.53) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL30353949 0.97 AHR (0.53) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL30709462 0.93 KDM4E (0.52) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL9983414 0.93 KDM4E (0.52) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL25006958 0.91 AHR (0.44) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL22514639 0.90 AHR (0.50) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL25962818 0.88 AHR (0.42) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL19937018 0.87 KDM4E (0.46) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL14052105 0.87 AHR (0.60) AHRKIF11ALDH1A1GPR3HSD17B10
SCHEMBL31663549 0.86 AHR (0.53) AHRKIF11ALDH1A1GPR3HSD17B10

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-2015009102-A1 ORGANIC LIGHT EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 (KR) 2015-01-22 — — WO disclosed
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