SCHEMBL9367656

SCHEMBL9367656

COC1(c2cc(F)cc(S(=O)(=O)c3ccc4c(ccc(=O)n4C)c3)c2)CCOC(C)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.56
BRPF1 P55201 5/20 0.35
BRD4 O60885 2/20 0.35
BRD1 O95696 2/20 0.35
BRD9 Q9H8M2 2/20 0.35
BRPF3 Q9ULD4 1/20 0.33

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
SCHEMBL9371531 0.89 ALOX5 (0.58) ALOX5BRPF1BRD4BRD1BRD9
SCHEMBL9367188 0.83 ALOX5 (0.51) ALOX5
SCHEMBL9219847 0.80 ALOX5 (0.79) ALOX5
SCHEMBL9216159 0.80 ALOX5 (0.79) ALOX5
SCHEMBL9098432 0.79 ALOX5 (0.42) ALOX5BRD4
SCHEMBL9371545 0.77 ALOX5 (0.46) ALOX5BRPF1BRD4BRD1BRD9
SCHEMBL9367578 0.76 ALOX5 (0.72) ALOX5BRPF1BRD4BRD1BRD9
SCHEMBL9076299 0.76 ALOX5 (0.30) ALOX5
SCHEMBL9050113 0.76 ALOX5 (0.30) ALOX5
SCHEMBL9076298 0.76 ALOX5 (0.30) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US disclosed