SCHEMBL28448030

SCHEMBL28448030

c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4[nH]c4ccc6c7ccccc7oc6c45)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 8/20 0.39
▸ CCND1 P24385 8/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CCNB3 Q8WWL7 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.36
▸ PPARG P37231 2/20 0.36
▸ NR2E3 Q9Y5X4 2/20 0.36
▸ NCOR2 Q9Y618 2/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ ZAP70 P43403 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
SCHEMBL28453459 0.94 CDK4 (0.39) CDK4CCND1ALOX5CCNB2CCNE2
SCHEMBL8819059 0.87 KDM4E (0.39) CDK4CCND1ALOX5ALDH1A1RXFP1
SCHEMBL17885204 0.84 ALOX5 (0.46) ALOX5ALDH1A1RXFP1PPARGNR2E3
SCHEMBL18621477 0.83 RXFP1 (0.42) ALDH1A1RXFP1PPARGNR2E3NCOR2
SCHEMBL20129519 0.83 CDK4 (0.38) CDK4CCND1ALOX5ALDH1A1RXFP1
SCHEMBL10165764 0.83 ALOX5 (0.54) ALOX5ALDH1A1RXFP1PPARGNR2E3
SCHEMBL16648210 0.82 ALOX5 (0.53) ALOX5ALDH1A1RXFP1PPARGNR2E3
SCHEMBL18381758 0.82 ALOX5 (0.53) ALOX5ALDH1A1RXFP1PPARGNR2E3
SCHEMBL18620512 0.81 KDM4E (0.42) ALDH1A1RXFP1PPARGNR2E3NCOR2
SCHEMBL26060125 0.81 ALOX5 (0.50) ALOX5ALDH1A1RXFP1PPARGNR2E3

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
CN-108017642-B Organic compound, and organic light emitting diode and organic light emitting display device including the same 乐金显示有限公司 2020-09-08 — — CN disclosed
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