SCHEMBL8046227

SCHEMBL8046227

N=C(N)COc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.58
LTA4H P09960 8/20 0.56
L3MBTL1 Q9Y468 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
SLC22A2 O15244 1/20 0.44

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
SCHEMBL1221676 0.85 WDR5 (0.64) WDR5PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL3764249 0.83 WDR5 (0.62) WDR5PRSS1PRSS2PRSS3F10
SCHEMBL8046153 0.79 LTA4H (0.53) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL8046154 0.79 L3MBTL1 (0.49) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL8046150 0.79 LTA4H (0.53) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL5004504 0.78 ALOX15 (0.70) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL13696728 0.77 LTA4H (0.51) LTA4HL3MBTL1LMNAMAPK1CASP3
SCHEMBL21360541 0.76 FFAR1 (0.56) WDR5PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7317832 0.76 F2 (0.79) MRGPRX1PRSS1PRSS2PRSS3F10
SCHEMBL7141666 0.75 GPR174 (0.56) LTA4HL3MBTL1LMNAMAPK1CASP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971909-A1 LTA 4? HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP claimed
WO-1998040370-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO claimed
US-6110944-A AN ANTIINFLAMMATORY AGENT TREATING INFLAMMATORY BOWEL DISEASE G. D. SEARLE & CO. (US) 2000-08-29 US disclosed
EP-0971909-A1 LTA 4? HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 2000-01-19 EP disclosed
WO-1998040370-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-17 WO disclosed