SCHEMBL11864104

SCHEMBL11864104

CCN(CC)CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.42
▸ TP53 P04637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 1/20 0.37

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
Hydrochloric Acid SCHEMBL11861513 0.99 RAD52 (0.57) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11858649 0.91 RAD52 (0.69) RAD52ALDH1A1CNR2CNR1CCNA2
Hydrochloric Acid SCHEMBL11864998 0.91 RAD52 (0.57) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11870590 0.89 RAD52 (0.57) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11870676 0.89 RAD52 (0.47) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11859533 0.88 RAD52 (0.47) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11859557 0.87 RAD52 (0.76) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11859430 0.85 RAD52 (0.75) RAD52ALDH1A1TP53KDM4EHPGD
Hydrochloric Acid SCHEMBL11854978 0.84 RAD52 (0.74) RAD52ALDH1A1TP53KDM4EHPGD
SCHEMBL11859783 0.84 RAD52 (0.44) RAD52ALDH1A1TP53KDM4EHPGD

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
Send feedback