SCHEMBL11858649

SCHEMBL11858649

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

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.69
▸ CCNA2 P20248 6/20 0.51
▸ CDK2 P24941 6/20 0.51
▸ CCNA1 P78396 6/20 0.51
▸ F10 P00742 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MARS1 P56192 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38

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
SCHEMBL11859557 0.95 RAD52 (0.76) RAD52CCNA2CDK2CCNA1F10
SCHEMBL11864104 0.91 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11864998 0.90 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11861513 0.90 RAD52 (0.57) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11856379 0.86 RAD52 (0.90) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11870590 0.85 RAD52 (0.57) RAD52CCNA2CDK2CCNA1F10
SCHEMBL11871559 0.85 RAD52 (0.62) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL11865536 0.82 RAD52 (0.61) RAD52CCNA2CDK2CCNA1ALDH1A1
SCHEMBL32690250 0.81 RAD52 (1.00) RAD52CCNA2CDK2CCNA1ALDH1A1
Hydrochloric Acid SCHEMBL11866779 0.81 RAD52 (0.98) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000173-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 — — US disclosed
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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