SCHEMBL11375182

SCHEMBL11375182

Cc1ccc2oc3cc(C#N)cnc3c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.42
▸ ALPG P10696 1/20 0.40
▸ MAPT P10636 9/20 0.39
▸ TP53 P04637 3/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CSNK2A2 P19784 4/20 0.37
▸ CSNK2B P67870 4/20 0.37
▸ CSNK2A1 P68400 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37

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
SCHEMBL11379997 0.84 TTR (0.44) ALDH1A1NPC1RAB9ANQO1KCNH2
SCHEMBL11356803 0.84 TBK1 (0.44) KDM4ENPC1RAB9APKMCSNK2A2
SCHEMBL11375424 0.84 CSNK1D (0.40) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11362867 0.84 POLB (0.36) TP53ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL11360752 0.82 MAOA (0.47) MAPTKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL11367261 0.77 NT5E (0.45) NT5EALPGMAPTTP53RXFP1
SCHEMBL5256371 0.73 ALDH1A1 (0.44) MAPTRXFP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1611070 0.73 ALPG (0.59) ALPGMAPTTP53KDM4EALDH1A1
SCHEMBL16906004 0.72 ALDH1A1 (0.48) NT5EALPGMAPTTP53KDM4E
SCHEMBL18347522 0.71 IDO1 (0.48) NT5EMAPTTP53KDM4EALDH1A1

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-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US claimed
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