SCHEMBL11859430

SCHEMBL11859430

CCN(CC)CCNC(=O)c1nn(-c2ccccc2)c2c1CCc1cc(Cl)ccc1-2

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.75
▸ CNR2 P34972 9/20 0.47
▸ CNR1 P21554 3/20 0.47
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 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
Hydrochloric Acid SCHEMBL11854978 0.99 RAD52 (0.74) RAD52CNR2CNR1MAPTKDM4E
Iodomethane SCHEMBL11870131 0.98 RAD52 (0.73) RAD52CNR2CNR1MAPTKDM4E
SCHEMBL11867137 0.91 RAD52 (0.76) RAD52CNR2CNR1
SCHEMBL11867074 0.91 RAD52 (0.62) RAD52CNR2CNR1MAPT
SCHEMBL11856379 0.90 RAD52 (0.90) RAD52CNR2CNR1MAPTKDM4E
SCHEMBL11859057 0.89 RAD52 (0.64) RAD52MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11863032 0.88 RAD52 (0.62) RAD52CNR2CNR1
Hydrochloric Acid SCHEMBL11867166 0.88 RAD52 (0.74) RAD52MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11865925 0.88 RAD52 (0.63) RAD52MAPTKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11868391 0.88 RAD52 (0.63) RAD52MAPTKDM4EALDH1A1SMN1; SMN2

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 claimed
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