SCHEMBL9940057

SCHEMBL9940057

COc1ccc(C(=O)Nc2cccc(O)c2NCc2ccc(N3CCCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.68
KLKB1 P03952 1/20 0.68
HDAC1 Q13547 1/20 0.53

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
SCHEMBL5410384 0.91 F10 (0.81) F10KLKB1
SCHEMBL9940055 0.84 F10 (0.82) F10KLKB1
SCHEMBL9940051 0.82 F10 (0.64) F10KLKB1
SCHEMBL2230035 0.81 F10 (1.00) F10KLKB1
Darexaban SCHEMBL2227024 0.81 F10 (1.00) F10KLKB1
SCHEMBL6645784 0.79 F10 (0.79) F10KLKB1
SCHEMBL9979731 0.79 F10 (0.73) F10KLKB1HDAC1
SCHEMBL9979803 0.79 F10 (0.73) F10KLKB1
SCHEMBL5396352 0.79 F10 (0.78) F10KLKB1
Hydrochloric Acid SCHEMBL5403614 0.79 F10 (0.72) 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 1 patent. 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 claimed