SCHEMBL22954029

SCHEMBL22954029

c1ccc(-c2ccc3[nH]c4ccc5c6ccc(o6)c5c4c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.52
▸ CCND1 P24385 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PLA2G2A P14555 3/20 0.42
▸ PLA2G4A P47712 3/20 0.42
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 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
SCHEMBL25689073 0.95 CDK4 (0.51) CDK4CCND1KDM4EMEN1GAA
SCHEMBL24728572 0.95 CDK4 (0.54) CDK4CCND1KDM4EMEN1GAA
SCHEMBL25996378 0.90 CDK4 (0.48) CDK4CCND1KDM4EMEN1GAA
SCHEMBL25681398 0.88 GABRP (0.47) CDK4CCND1KDM4EMEN1GAA
SCHEMBL24027684 0.85 CDK4 (0.44) CDK4CCND1KDM4EMEN1GAA
SCHEMBL23030716 0.85 CDK4 (0.46) CDK4CCND1KDM4EMEN1GAA
SCHEMBL25703026 0.82 PLA2G2A (0.46) CDK4CCND1KDM4EMEN1GAA
SCHEMBL15055611 0.82 CDK4 (0.67) CDK4CCND1JAK2GABRPGABRD
SCHEMBL25678769 0.82 KDM4E (0.45) CDK4CCND1KDM4EMEN1GAA
SCHEMBL26056177 0.81 AHR (0.48) CDK4CCND1KDM4EMEN1GAA

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-2021020872-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2021-02-04 — — WO disclosed
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