SCHEMBL11870676

SCHEMBL11870676

CCN(CC)CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.47
▸ SCN1A P35498 3/20 0.47
▸ SCN2A Q99250 3/20 0.47
▸ SCN3A Q9NY46 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CCNA2 P20248 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ CCNA1 P78396 4/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND3 P30281 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
SCHEMBL11866224 0.94 SCN1A (0.45) RAD52SCN1ASCN2ASCN3AALDH1A1
SCHEMBL11870590 0.92 RAD52 (0.57) RAD52SCN1ASCN2ASCN3AALDH1A1
SCHEMBL11863222 0.92 SCN1A (0.47) RAD52SCN1ASCN2ASCN3AALDH1A1
SCHEMBL11864104 0.89 RAD52 (0.57) RAD52SCN1ASCN2ASCN3AALDH1A1
Hydrochloric Acid SCHEMBL11861513 0.88 RAD52 (0.57) RAD52SCN1ASCN2ASCN3AALDH1A1
SCHEMBL8593062 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL11859057 0.83 RAD52 (0.64) RAD52ALDH1A1KDM4EHPGDTP53
Hydrochloric Acid SCHEMBL11865925 0.82 RAD52 (0.63) RAD52ALDH1A1KDM4EHPGDTP53
SCHEMBL11864991 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDTP53CCNA2
SCHEMBL11858649 0.79 RAD52 (0.69) RAD52ALDH1A1CCNA2CDK2CCNA1

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