SCHEMBL11866224

SCHEMBL11866224

CCN(CC)CCOC(=O)c1nn(-c2ccccc2)c2c1CCCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 3/20 0.45
▸ SCN2A Q99250 3/20 0.45
▸ SCN3A Q9NY46 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ RAD52 P43351 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ PRCP P42785 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL11870676 0.94 RAD52 (0.47) SCN1ASCN2ASCN3ATP53RAD52
SCHEMBL11863222 0.90 SCN1A (0.47) SCN1ASCN2ASCN3ATP53RAD52
SCHEMBL11864991 0.87 ALDH1A1 (0.54) TP53ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL11870590 0.87 RAD52 (0.57) SCN1ASCN2ASCN3ATP53RAD52
SCHEMBL11857626 0.83 RAD52 (0.57) TP53RAD52ALDH1A1KDM4EHPGD
SCHEMBL11864104 0.83 RAD52 (0.57) SCN1ASCN2ASCN3ATP53RAD52
Hydrochloric Acid SCHEMBL11861513 0.83 RAD52 (0.57) SCN1ASCN2ASCN3ATP53RAD52
SCHEMBL8593062 0.80 ALDH1A1 (0.58) TP53ALDH1A1KDM4EHPGDCYP3A4
Maleic Acid SCHEMBL11862236 0.80 RAD52 (0.53) TP53RAD52ALDH1A1KDM4EHPGD
Fumaric Acid SCHEMBL11862246 0.80 RAD52 (0.53) TP53RAD52ALDH1A1KDM4EHPGD

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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