SCHEMBL4329671

SCHEMBL4329671

O=C(O)Cn1ncc2cc(Oc3ccc(Cl)cc3Cl)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.58
FFAR1 O14842 3/20 0.49
MRGPRX4 Q96LA9 1/20 0.45
HIF1A Q16665 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL3363387 0.83 KMO (0.78) KMOCYP4F2CYP4A11
SCHEMBL10927597 0.81 KMO (0.76) KMOCYP4F2CYP4A11
SCHEMBL10927590 0.81 KMO (0.76) KMOCYP4F2CYP4A11
SCHEMBL13625916 0.74 KMO (0.47) KMOCYP4F2CYP4A11TDP1
SCHEMBL3584874 0.74 KMO (0.46) KMOCYP4F2CYP4A11TDP1
SCHEMBL24648568 0.71 CYP4F2 (0.48) CYP4F2CYP4A11
SCHEMBL30084990 0.71 KMO (0.49) KMOCYP4F2CYP4A11
SCHEMBL19777851 0.70 KMO (0.55) KMOCYP4F2CYP4A11
SCHEMBL10927577 0.70 KMO (0.62) KMO
SCHEMBL14564403 0.69 KMO (0.57) KMOCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039685-A2 Heterobicyclic compounds as P38 inhibitors Array Biopharma, Inc. (US) 2009-03-25 EP claimed
US-5306692-A Herbicidal indazole and benzimidazole compounds ZENECA LIMITED (GB) 1994-04-26 US claimed
EP-0448206-A2 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LIMITED (GB) 1991-09-25 EP claimed
EP-0448206-B1 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LTD (GB) 1994-12-28 EP disclosed
US-5306692-A Herbicidal indazole and benzimidazole compounds ZENECA LIMITED (GB) 1994-04-26 US disclosed
EP-0448206-A2 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LIMITED (GB) 1991-09-25 EP disclosed
EP-0448206-A2 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LIMITED (GB) 1991-09-25 EP disclosed