SCHEMBL11870710

SCHEMBL11870710

O=C(NCCN1CCCC1)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.54
▸ CNR1 P21554 4/20 0.54
▸ RAD52 P43351 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ABCB1 P08183 1/20 0.48
▸ EEF2K O00418 1/20 0.46

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
SCHEMBL11858506 0.99 CNR2 (0.56) CNR2CNR1RAD52ALDH1A1LMNA
SCHEMBL11861062 0.94 CNR2 (0.54) CNR2CNR1RAD52ALDH1A1ABCB1
SCHEMBL11859404 0.94 RAD52 (0.54) CNR2CNR1RAD52ALDH1A1LMNA
SCHEMBL11863304 0.92 ABCB1 (0.59) CNR2CNR1RAD52ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11863224 0.87 RAD52 (0.51) CNR2CNR1RAD52ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11863213 0.87 RAD52 (0.51) CNR2CNR1RAD52ALDH1A1LMNA
SCHEMBL11865791 0.84 CNR2 (0.47) CNR2CNR1RAD52
SCHEMBL11867074 0.84 RAD52 (0.62) CNR2CNR1RAD52
SCHEMBL11870415 0.84 CNR2 (0.49) CNR2CNR1RAD52
SCHEMBL11860266 0.83 RAD52 (0.58) CNR2CNR1RAD52

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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