SCHEMBL11859557

SCHEMBL11859557

CCN(CC)CCOC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1cc(OC)ccc1-2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.76
▸ CCNA2 P20248 6/20 0.49
▸ CDK2 P24941 6/20 0.49
▸ CCNA1 P78396 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 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
SCHEMBL11858649 0.95 RAD52 (0.69) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11864104 0.87 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11870590 0.87 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL32690250 0.86 RAD52 (1.00) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11864998 0.86 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11861513 0.86 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11866779 0.86 RAD52 (0.98) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11867763 0.85 RAD52 (0.70) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11868715 0.82 RAD52 (0.68) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11856379 0.81 RAD52 (0.90) RAD52CCNA2CDK2CCNA1ALDH1A1

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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