SCHEMBL9813116

SCHEMBL9813116

COC1=CC2=C(Sc3cc(F)ccc3N2)C(Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.41
▸ SNCA P37840 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CREBBP Q92793 1/20 0.31
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL9813210 0.87 MAPT (0.41) NOX1SNCAMEN1LMNAGAA
SCHEMBL2987616 0.87 SNCA (0.50) NOX1SNCAMEN1LMNAGAA
SCHEMBL10575740 0.75 MEN1 (0.45) NOX1SNCAMEN1LMNAGAA
SCHEMBL10591899 0.75 NOX1 (0.43) NOX1SNCAMEN1LMNAGAA
SCHEMBL10569969 0.73 SNCA (0.50) NOX1SNCAMEN1LMNAGAA
SCHEMBL10591790 0.71 NOX1 (0.44) NOX1GAAMAPTMAPK1
SCHEMBL10590538 0.69 MEN1 (0.40) NOX1SNCAMEN1LMNAGAA
SCHEMBL10590992 0.69 MAPT (0.44) NOX1SNCAMEN1LMNAGAA
SCHEMBL10592334 0.68 SNCA (0.41) NOX1SNCAMEN1LMNAGAA
SCHEMBL10593192 0.67 L3MBTL1 (0.43) NOX1SNCAMEN1LMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 — — EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 — — US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 — — EP disclosed
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