SCHEMBL8877989

SCHEMBL8877989

CCC(C)n1nc(C(N)=O)c2cccc(O)c21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CFD P00746 7/20 0.36
▸ ELANE P08246 2/20 0.36
▸ HTR3A P46098 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL8878245 0.86 L3MBTL1 (0.40) L3MBTL1KDM4ECFDELANEHTR3A
SCHEMBL8875819 0.80 ELANE (0.50) KDM4ECFDELANEKMT2ASCN9A
SCHEMBL8877889 0.79 HTR3A (0.35) L3MBTL1CFDELANEHTR3AKMT2A
SCHEMBL8877375 0.74 HCAR3 (0.40) L3MBTL1KDM4ECFDELANEHTR3A
SCHEMBL8877233 0.74 JAK2 (0.38) L3MBTL1KDM4ECFDELANEHTR3A
SCHEMBL8720502 0.72 HTR3A (0.54) HTR3A
SCHEMBL8876561 0.70 ELANE (0.51) KDM4ECFDELANEKMT2ASCN9A
SCHEMBL8874909 0.69 ELANE (0.48) KDM4ECFDELANEKMT2ASCN9A
SCHEMBL4777015 0.67 ELANE (0.55) KDM4EELANEKMT2ASCN9A
SCHEMBL6956867 0.67 KMT2A (0.46) KDM4EELANEKMT2AMEN1CYP1A2

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-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 — — US disclosed
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