SCHEMBL8876380

SCHEMBL8876380

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.40
▸ ELANE P08246 2/20 0.39
▸ HTR3A P46098 1/20 0.38
▸ HTR4 Q13639 8/20 0.38
▸ RBP4 P02753 1/20 0.37
▸ HTR2A P28223 4/20 0.36
▸ SYK P43405 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ ICAM1 P05362 1/20 0.35
▸ SELE P16581 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 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
SCHEMBL8876409 0.88 HTR3A (0.38) EGFRELANEHTR3AHTR4HTR2A
SCHEMBL8877233 0.86 JAK2 (0.38) ELANEHTR3AHTR4HTR2AESR1
SCHEMBL4777015 0.80 ELANE (0.55) ELANEHTR4HTR2A
Hydrochloric Acid SCHEMBL27569092 0.79 ELANE (0.54) ELANEHTR4HTR2A
SCHEMBL27702080 0.78 ABL1 (0.41) EGFRHTR4HTR2ASYKESR1
Oxalic Acid SCHEMBL27529758 0.77 ELANE (0.55) ELANEHTR4HTR2A
Oxalic Acid SCHEMBL7429472 0.77 ELANE (0.55) ELANEHTR4HTR2A
SCHEMBL15723742 0.76 GRM4 (0.43) EGFRHTR4HTR2ASYKESR1
SCHEMBL8877375 0.75 HCAR3 (0.40) ELANEHTR3AADORA2AADORA1JAK2
SCHEMBL16340201 0.74 EGFR (0.45) EGFRELANEHTR4ADORA2AADORA1

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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