SCHEMBL8876409

SCHEMBL8876409

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HTR4 Q13639 7/20 0.38
▸ ICAM1 P05362 1/20 0.37
▸ SELE P16581 1/20 0.37
▸ CASR P41180 1/20 0.37
▸ HTR2A P28223 2/20 0.36
▸ ELANE P08246 3/20 0.36
▸ SYK P43405 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ PLA2G2A P14555 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 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
SCHEMBL8876380 0.88 EGFR (0.40) HTR3AEGFRHTR4ICAM1SELE
SCHEMBL8877375 0.86 HCAR3 (0.40) HTR3AICAM1SELEELANEADORA2A
SCHEMBL4777015 0.80 ELANE (0.55) HTR4HTR2AELANE
Hydrochloric Acid SCHEMBL27569092 0.79 ELANE (0.54) HTR4HTR2AELANE
SCHEMBL8874898 0.77 HTR3A (0.48) HTR3A
Oxalic Acid SCHEMBL27529758 0.77 ELANE (0.55) HTR4HTR2AELANE
Oxalic Acid SCHEMBL7429472 0.77 ELANE (0.55) HTR4HTR2AELANE
SCHEMBL28127528 0.76 LRRK2 (0.51) —
SCHEMBL8877233 0.75 JAK2 (0.38) HTR3AHTR4HTR2AELANEADORA2A
SCHEMBL30547276 0.73 HPGDS (0.44) —

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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