SCHEMBL8877375

SCHEMBL8877375

CCC(C)n1nc(C(N)=O)c2cc(O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ ELANE P08246 2/20 0.38
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ HTR3A P46098 1/20 0.35
▸ PLA2G2A P14555 3/20 0.35
▸ LMNA P02545 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADORA2A P29274 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
SCHEMBL8877233 0.90 JAK2 (0.38) HCAR3KDM4CELANEJAK2JAK1
SCHEMBL8876409 0.86 HTR3A (0.38) HCAR3ELANEJAK2JAK1TYK2
SCHEMBL8875819 0.82 ELANE (0.50) ELANEKDM4ESMN1; SMN2CFDMAP3K14
SCHEMBL8876380 0.75 EGFR (0.40) ELANEJAK2JAK1TYK2JAK3
SCHEMBL8877989 0.74 L3MBTL1 (0.37) ELANEHTR3AKDM4EMAPTSMN1; SMN2
SCHEMBL8877889 0.74 HTR3A (0.35) HCAR3KDM4CELANEHTR3APLA2G2A
SCHEMBL8714345 0.72 HTR4 (0.52) HTR3A
SCHEMBL8715748 0.72 HTR4 (0.52) HTR3A
SCHEMBL8714353 0.72 HTR4 (0.52) HTR3A
SCHEMBL8874909 0.72 ELANE (0.48) ELANEKDM4ESMN1; SMN2CFDMAP3K14

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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