SCHEMBL13158596

SCHEMBL13158596

c1ccc(-c2ccc3c(-c4ccc(-c5c6ccccc6c(-c6ccncc6)c6ccccc56)cc4)c4ccccc4c(-c4ccccc4)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.56
MKNK1 Q9BUB5 1/20 0.54
PIK3CA P42336 1/20 0.53
IMPDH2 P12268 2/20 0.51
CHEK1 O14757 3/20 0.44
ALK Q9UM73 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CCNA2 P20248 1/20 0.42
CCND1 P24385 1/20 0.42
CDK2 P24941 1/20 0.42
CCND3 P30281 1/20 0.42
DHODH Q02127 1/20 0.42
QDPR P09417 1/20 0.41
MAPT P10636 2/20 0.41
JAK2 O60674 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL10030021 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL15977563 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL29774095 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL15977469 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL10030050 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL10300979 1.00 NOTUM (0.56) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL17366606 0.98 NOTUM (0.54) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL17366611 0.98 NOTUM (0.54) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL10301013 0.98 NOTUM (0.58) NOTUMMKNK1PIK3CAIMPDH2CHEK1
SCHEMBL10301011 0.98 NOTUM (0.58) NOTUMMKNK1PIK3CAIMPDH2CHEK1

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-2010114263-A2 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS,LTD. (KR) 2010-10-07 WO disclosed