SCHEMBL7733986

SCHEMBL7733986

NCCC[C@@H](N)C(=O)N[C@H](CCc1cccs1)c1nc(C(=O)Nc2cnc3c(OC(=O)C(F)(F)F)cccc3c2)co1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.31
STAMBP O95630 1/20 0.31
COPS5 Q92905 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL7723297 0.77 RAB9A (0.41)
SCHEMBL7735549 0.76 LTA4H (0.38)
SCHEMBL7735983 0.74 RAB9A (0.44)
SCHEMBL7732369 0.72 NPC1 (0.34)
SCHEMBL7730721 0.71 LTA4H (0.40)
SCHEMBL7723198 0.70 TRPV1 (0.38)
SCHEMBL7734013 0.69 NPC1 (0.45)
SCHEMBL7732329 0.69 ZAP70 (0.34)
SCHEMBL7733828 0.69 DAGLA (0.38)
SCHEMBL7733896 0.68 RAB9A (0.38)

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
US-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed