SCHEMBL11859533

SCHEMBL11859533

CN(C)CCCOC(=O)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ CNR2 P34972 4/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CCNA2 P20248 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNA1 P78396 2/20 0.39
▸ IKBKB O14920 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
SCHEMBL11864104 0.88 RAD52 (0.57) RAD52CNR2CNR1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11861513 0.87 RAD52 (0.57) RAD52CNR2CNR1ALDH1A1KDM4E
SCHEMBL11860266 0.85 RAD52 (0.58) RAD52CNR2CNR1
SCHEMBL11859783 0.84 RAD52 (0.44) RAD52CNR2CNR1ALDH1A1KDM4E
SCHEMBL11865791 0.83 CNR2 (0.47) RAD52CNR2CNR1HPGD
SCHEMBL11863026 0.83 KMT2A (0.53) RAD52GAACNR2CNR1ALDH1A1
SCHEMBL11867074 0.83 RAD52 (0.62) RAD52CNR2CNR1IKBKB
SCHEMBL11870415 0.82 CNR2 (0.49) RAD52CNR2CNR1HPGD
SCHEMBL11865693 0.81 PTGS2 (0.47) RAD52GAACNR2CNR1ALDH1A1
SCHEMBL5698605 0.79 CNR2 (0.51) RAD52CNR2CNR1ALDH1A1KDM4E

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-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 claimed
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