SCHEMBL11860827

SCHEMBL11860827

CCN(CC)CCNC(=O)c1nn(-c2ccccc2)c2c1Cc1cc(OC)c(OC)cc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.59
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MITF O75030 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TSHR P16473 2/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CACNA1G O43497 1/20 0.42
▸ CACNA1H O95180 1/20 0.42
▸ CACNA1I Q9P0X4 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
Hydrochloric Acid SCHEMBL11866659 0.99 RAD52 (0.58) RAD52GAAKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL11864379 0.86 RAD52 (0.56) RAD52KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11859057 0.81 RAD52 (0.64) RAD52KMT2APOLBALDH1A1LMNA
Hydrochloric Acid SCHEMBL11865925 0.81 RAD52 (0.63) RAD52KMT2APOLBALDH1A1LMNA
SCHEMBL11857626 0.80 RAD52 (0.57) RAD52KMT2APOLBALDH1A1LMNA
SCHEMBL11867802 0.80 MAPT (0.52) KMT2AMEN1ALDH1A1HTTCA2
SCHEMBL11859430 0.79 RAD52 (0.75) RAD52GAAKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11854978 0.78 RAD52 (0.74) RAD52GAAKMT2AALDH1A1SMN1; SMN2
Iodomethane SCHEMBL11870131 0.77 RAD52 (0.73) RAD52GAAKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL11868391 0.77 RAD52 (0.63) RAD52GAAKMT2APOLBALDH1A1

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
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