SCHEMBL11867137

SCHEMBL11867137

CCN(CC)CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.76
▸ IKBKB O14920 4/20 0.46
▸ CNR2 P34972 9/20 0.46
▸ CNR1 P21554 3/20 0.46
▸ POLB P06746 1/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ MDM2 Q00987 1/20 0.42

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
SCHEMBL11859430 0.91 RAD52 (0.75) RAD52CNR2CNR1
Hydrochloric Acid SCHEMBL11854978 0.90 RAD52 (0.74) RAD52CNR2CNR1
SCHEMBL11856379 0.90 RAD52 (0.90) RAD52CNR2CNR1
Iodomethane SCHEMBL11870131 0.90 RAD52 (0.73) RAD52CNR2CNR1
SCHEMBL32690250 0.86 RAD52 (1.00) RAD52
Hydrochloric Acid SCHEMBL11866779 0.85 RAD52 (0.98) RAD52
Hydrochloric Acid SCHEMBL11867166 0.85 RAD52 (0.74) RAD52POLB
Hydrochloric Acid SCHEMBL11864998 0.84 RAD52 (0.57) RAD52IKBKBCNR2CNR1
SCHEMBL11867074 0.82 RAD52 (0.62) RAD52IKBKBCNR2CNR1
SCHEMBL11865957 0.80 RAD52 (0.53) RAD52IKBKBCNR2CNR1

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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