SCHEMBL9414675

SCHEMBL9414675

CC(=O)N(C)c1ccc(Sc2ncc([C@@]3(C)COC(C)(C)O3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 1.00
ACACB O00763 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL9414676 1.00 ALOX5 (1.00) ALOX5ACACBTDP1LMNAPOLB
SCHEMBL9049586 0.86 ALOX5 (1.00) ALOX5LMNAALDH1A1
SCHEMBL9049524 0.86 ALOX5 (1.00) ALOX5LMNAALDH1A1
SCHEMBL9076219 0.80 ALOX5 (0.77) ALOX5
SCHEMBL9076214 0.80 ALOX5 (0.77) ALOX5
SCHEMBL9076212 0.80 ALOX5 (0.77) ALOX5
SCHEMBL9050033 0.76 ALOX5 (0.64) ALOX5
SCHEMBL9050038 0.76 ALOX5 (0.64) ALOX5
SCHEMBL9414673 0.75 ALOX5 (1.00) ALOX5
SCHEMBL9223598 0.75 ALOX5 (1.00) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610032-A1 Acetanilide derivatives ZENECA LIMITED (GB) 1994-08-10 EP claimed
EP-0610032-A1 Acetanilide derivatives ZENECA LIMITED (GB) 1994-08-10 EP disclosed