SCHEMBL9375424

SCHEMBL9375424

NC(=O)N(O)CCc1cc(Br)cs1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ALOX5 P09917 9/20 0.35
GSK3B P49841 1/20 0.35
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9374022 0.84 ALOX5 (0.44) ALDH1A1LMNACES2CES1ALOX5
SCHEMBL9374398 0.73 L3MBTL1 (0.37) CES2CES1ALOX5GSK3B
SCHEMBL9373356 0.71 ALOX5 (0.50) ALDH1A1ALOX5
SCHEMBL553196 0.71 TAAR1 (0.45) SLC6A4SLC6A3
SCHEMBL4090534 0.71 LMNA (0.46) ALDH1A1LMNACES2CES1GSK3B
SCHEMBL20604279 0.69 LTB4R (0.43) ALDH1A1LMNACES2CES1GSK3B
SCHEMBL70199 0.68
SCHEMBL2037745 0.68
SCHEMBL436458 0.67 CYP2A6 (0.51) LMNAALOX5
SCHEMBL1400850 0.66 ALDH1A1 (0.41) ALDH1A1LMNACES2CES1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588785-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1994-03-30 EP disclosed
EP-0588785-A4 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS. ABBOTT LAB (US) 1991-12-30 EP disclosed
WO-1990012008-A1 UREA BASED LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-10-18 WO disclosed