SCHEMBL11867074

SCHEMBL11867074

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.62
▸ CNR2 P34972 9/20 0.49
▸ CNR1 P21554 3/20 0.49
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MALT1 Q9UDY8 1/20 0.47
▸ IKBKB O14920 1/20 0.45
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43

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
SCHEMBL11860266 0.94 RAD52 (0.58) RAD52CNR2CNR1NFKB1NFKB2
SCHEMBL11859430 0.91 RAD52 (0.75) RAD52CNR2CNR1MAPT
SCHEMBL11863032 0.90 RAD52 (0.62) RAD52CNR2CNR1
Hydrochloric Acid SCHEMBL11854978 0.90 RAD52 (0.74) RAD52CNR2CNR1MAPT
Iodomethane SCHEMBL11870131 0.89 RAD52 (0.73) RAD52CNR2CNR1MAPT
SCHEMBL11859404 0.85 RAD52 (0.54) RAD52CNR2CNR1
SCHEMBL11870710 0.84 CNR2 (0.54) RAD52CNR2CNR1
SCHEMBL11858506 0.83 CNR2 (0.56) RAD52CNR2CNR1
SCHEMBL11859533 0.83 RAD52 (0.47) RAD52CNR2CNR1IKBKB
SCHEMBL11863304 0.82 ABCB1 (0.59) RAD52CNR2CNR1

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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