SCHEMBL9979748

SCHEMBL9979748

COc1ccc(NC(=O)c2cccc(O)c2NC(=O)c2ccc(N3CCCN(C)CC3)nc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.77
KLKB1 P03952 1/20 0.59
HDAC2 Q92769 1/20 0.51

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
SCHEMBL9976498 0.91 F10 (0.76) F10
SCHEMBL9976499 0.90 F10 (0.76) F10
SCHEMBL6644994 0.87 F10 (0.77) F10KLKB1
SCHEMBL5403144 0.87 F10 (1.00) F10KLKB1
Hydrochloric Acid SCHEMBL5441402 0.86 F10 (1.00) F10KLKB1
SCHEMBL9976500 0.82 F10 (0.81) F10
SCHEMBL9976501 0.80 F10 (0.68) F10
SCHEMBL9979769 0.80 F10 (0.71) F10KLKB1
SCHEMBL9976455 0.77 F10 (1.00) F10KLKB1
SCHEMBL5409814 0.76 F10 (0.84) F10KLKB1

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
US-RE43481-E1 Diazepan derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2012-06-19 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed
US-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US disclosed