SCHEMBL26391992

SCHEMBL26391992

c1ccc(-c2ccccc2-c2cc(-c3cccc4[nH]c5ccccc5c34)nc(-c3ccc4ccc5c6ccccc6ccc5c4c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 12/20 0.43
▸ CCND1 P24385 12/20 0.43
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ HPGD P15428 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL23759556 0.82 MAPK1 (0.38) HPGDMAPK1HTTSMN1; SMN2KDM4E
SCHEMBL17714944 0.80 CDK4 (0.48) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17714930 0.80 CDK4 (0.48) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL24990363 0.78 CDK4 (0.49) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL23759563 0.78 HPRT1 (0.45) HPGDMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL17714887 0.77 CDK4 (0.45) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL17714931 0.76 CDK4 (0.49) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL25621588 0.75 MAPT (0.48) HPGDMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL25621524 0.75 MAPT (0.43) HPGDMAPK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL26478485 0.75 MAPT (0.44) HPGDMAPK1SMN1; SMN2KDM4EALDH1A1

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
US-20230320203-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-05 — — US disclosed
US-20230320203-A1 PLURALITY OF HOST MATERIALS, ORGANIC ELECTROLUMINESCENT COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2023-10-05 — — US disclosed
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