SCHEMBL27803545

SCHEMBL27803545

CC(=O)Oc1nc(N)sc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ FBP1 P09467 1/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ PKM P14618 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GRM6 O15303 1/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RCE1 Q9Y256 1/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL14632053 0.87 FBP1 (0.44) ALOX5FBP1KDM4EPKMALDH1A1
SCHEMBL27817803 0.87 KDM4E (0.54) ALOX5FBP1KDM4EPKMALDH1A1
SCHEMBL27626587 0.85 ALOX5 (0.71) ALOX5KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL27803414 0.84 ALOX5 (0.54) ALOX5KDM4EPKMALDH1A1HPGD
SCHEMBL28786380 0.84 ALOX5 (0.54) ALOX5PKMALDH1A1GRM6MAPK14
SCHEMBL27824237 0.84 ALOX5 (0.51) ALOX5KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL27817817 0.81 ALDH1A1 (0.49) ALOX5KDM4EPKMALDH1A1SMN1; SMN2
SCHEMBL27817836 0.79 ALOX5 (0.48) ALOX5KDM4EPKMALDH1A1HPGD
SCHEMBL28790352 0.78 ALOX5 (0.47) ALOX5FBP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL27803421 0.76 ALOX5 (0.51) ALOX5KDM4EPKMALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 — — CN disclosed
CN-101965343-A 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 — — CN disclosed
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