SCHEMBL8877889

SCHEMBL8877889

CCC(C)n1nc(C(N)=O)c2c(O)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ HCK P08631 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ PLA2G2A P14555 2/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CFD P00746 2/20 0.34
▸ ELANE P08246 2/20 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
SCHEMBL8876503 0.86 HTR3A (0.38) HTR3APIK3CDABL1EGFRHCK
SCHEMBL8875819 0.80 ELANE (0.50) CFDELANESMN1; SMN2KMT2A
SCHEMBL8877989 0.79 L3MBTL1 (0.37) HTR3AMAPTCFDELANEL3MBTL1
SCHEMBL20943695 0.74 CNR1 (0.38) CFDRET
SCHEMBL8877233 0.74 JAK2 (0.38) HTR3APLA2G2AHCAR3MAPTHTT
SCHEMBL8877375 0.74 HCAR3 (0.40) HTR3APLA2G2AHCAR3MAPTHTT
SCHEMBL20589160 0.72 ALDH1A1 (0.41) MAPTSMN1; SMN2RETKMT2AMEN1
SCHEMBL8713436 0.72 HTR3A (0.51) HTR3A
SCHEMBL8713439 0.72 HTR3A (0.51) HTR3A
SCHEMBL8714873 0.70 HTR3A (0.52) HTR3A

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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