SCHEMBL27699735

SCHEMBL27699735

O=c1cc(-c2ccc(F)cc2)c2ccc(CNn3ccc(C4CCCC4)n3)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 4/20 0.46
▸ KCNH2 Q12809 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GRM2 Q14416 4/20 0.36
▸ TUBB P07437 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL27699690 0.98 ALOX5 (0.46) ALOX5KCNH2GRM2TUBBADORA2A
SCHEMBL27699749 0.80 ALOX5 (0.49) ALOX5KCNH2KDM4EHPGDGRM2
SCHEMBL27720323 0.79 ALOX5 (0.55) ALOX5KCNH2KDM4EHPGDGRM2
SCHEMBL27699684 0.78 ALOX5 (0.56) ALOX5KCNH2KDM4EHPGDGRM2
SCHEMBL4076155 0.78 ALOX5 (0.60) ALOX5KCNH2KDM4EHPGDHTT
SCHEMBL27720330 0.78 ALOX5 (0.55) ALOX5KCNH2KDM4EHPGDGRM2
SCHEMBL27720333 0.76 ALOX5 (0.50) ALOX5KDM4EHPGDGRM2TUBB
SCHEMBL4080162 0.76 ALOX5 (0.60) ALOX5KCNH2KDM4EHPGDHTT
SCHEMBL4075975 0.70 ALOX5 (0.53) ALOX5KDM4EHPGDALDH1A1MAPT
SCHEMBL28768571 0.70 ALOX5 (0.47) ALOX5HPGDKMT2AGRM2ALDH1A1

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
CN-101146802-A Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FROSST CANADA LTD (CA) 2008-03-19 — — CN claimed
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