SCHEMBL8046154

SCHEMBL8046154

N=C(COc1ccc(Cc2ccccc2)cc1)NO

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
LTA4H P09960 13/20 0.49
FAAH O00519 2/20 0.43
ACHE P22303 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.42
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1581044 0.86 ALOX15 (0.52) HPGDKMT2A
Hydrochloric Acid SCHEMBL836697 0.84 ALOX15 (0.50) HPGDKMT2A
SCHEMBL8046227 0.79 WDR5 (0.58) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL8211657 0.78 LTA4H (0.60) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL5004504 0.75 ALOX15 (0.70) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL28279208 0.75 LMNA (0.46) L3MBTL1LMNAHPGDKMT2A
SCHEMBL481181 0.75 MAPT (0.46) L3MBTL1LMNAMAPK1HPGDKMT2A
SCHEMBL1008239 0.75 ATF4 (0.50) L3MBTL1LMNAHPGDKMT2A
SCHEMBL8046160 0.75 EPHX2 (0.46) L3MBTL1LMNAMAPK1CASP3SENP7
SCHEMBL13696728 0.74 LTA4H (0.51) L3MBTL1LMNAMAPK1CASP3SENP7

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-6110944-A AN ANTIINFLAMMATORY AGENT TREATING INFLAMMATORY BOWEL DISEASE G. D. SEARLE & CO. (US) 2000-08-29 US disclosed