SCHEMBL11868637

SCHEMBL11868637

CCOC(=O)c1nn(C(C)C)c2c1CCc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.47
▸ CDK2 P24941 4/20 0.47
▸ CCNA1 P78396 4/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCND3 P30281 1/20 0.47
▸ CDK6 Q00534 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 6/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ AURKA O14965 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ ELANE P08246 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL12240664 0.85 CCNA2 (0.59) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL11862119 0.83 AURKA (0.48) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL8593062 0.83 ALDH1A1 (0.58) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL11865896 0.77 RAD52 (0.51) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL11864991 0.76 ALDH1A1 (0.54) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL3502618 0.75 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3503801 0.75 CCNA2 (0.55) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL2915837 0.75 CCNA2 (0.54) CCNA2CDK2CCNA1CDK4CCND3
SCHEMBL3504397 0.75 BRD4 (0.43) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL9837128 0.74 ALDH1A1 (0.56) CCNA2CDK2CCNA1ALDH1A1KDM4E

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
US-3940418-A Esters and amides of 4,5-dihydrobenz[g]indazole-3-carboxylic acids and related compounds G. D. SEARLE & CO. (US) 1976-02-24 — — US disclosed
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