SCHEMBL22954841

SCHEMBL22954841

Clc1ccc2[nH]c3c(ccc4ccc5ccccc5c43)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.51
▸ CDK4 P11802 4/20 0.49
▸ CCND1 P24385 4/20 0.49
▸ CCNE2 O96020 2/20 0.49
▸ CCNE1 P24864 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CCNB2 O95067 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ CDK1 P06493 1/20 0.49
▸ CCNB1 P14635 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ GSK3B P49841 1/20 0.49
▸ MAP3K9 P80192 1/20 0.49
▸ MAP3K11 Q16584 1/20 0.49
▸ CCNB3 Q8WWL7 1/20 0.49
▸ GABRP O00591 2/20 0.46
▸ GABRD O14764 2/20 0.46
▸ GABRA1 P14867 2/20 0.46
▸ GABRB1 P18505 2/20 0.46

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
SCHEMBL24032327 0.89 KIF11 (0.66) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL22155792 0.88 KIF11 (0.49) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL28133801 0.82 KIF11 (0.75) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL22172096 0.81 CDK4 (0.58) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL22155551 0.81 CDK4 (0.53) KIF11CDK4CCND1GABRPGABRD
SCHEMBL30512157 0.81 CDK4 (0.53) KIF11CDK4CCND1GABRPGABRD
SCHEMBL24032107 0.81 KIF11 (0.68) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL22155547 0.81 CDK4 (0.51) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL13563979 0.80 KIF11 (0.56) KIF11CDK4CCND1CCNE2CCNE1
SCHEMBL16432834 0.80 GABRP (0.55) KIF11CDK4CCND1CCNE2CCNE1

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-2021020799-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-02-04 — — WO disclosed
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