SCHEMBL8877233

SCHEMBL8877233

CCC(C)n1nc(C(N)=O)c2ccc(O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ ESR1 P03372 4/20 0.36
▸ ELANE P08246 2/20 0.36
▸ HTR3A P46098 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34

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
SCHEMBL8877375 0.90 HCAR3 (0.40) JAK2JAK1TYK2JAK3HCAR3
SCHEMBL8876380 0.86 EGFR (0.40) JAK2JAK1TYK2JAK3ESR1
SCHEMBL8875819 0.82 ELANE (0.50) ELANEKDM4ESMN1; SMN2HTR4CFD
SCHEMBL8876409 0.75 HTR3A (0.38) JAK2JAK1TYK2JAK3HCAR3
SCHEMBL8877889 0.74 HTR3A (0.35) HCAR3ELANEHTR3AGAAMAPT
SCHEMBL8877989 0.74 L3MBTL1 (0.37) ELANEHTR3AKDM4EMAPTSMN1; SMN2
SCHEMBL8717114 0.72 HTR3A (0.54) HTR3AHTR4
SCHEMBL8717118 0.72 HTR3A (0.54) HTR3AHTR4
SCHEMBL8874909 0.72 ELANE (0.48) ELANEKDM4ESMN1; SMN2HTR4CFD
SCHEMBL17026562 0.71 CFD (0.44) ESR1ELANELMNACFD

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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