SCHEMBL9979731

SCHEMBL9979731

COc1ccc(C(=O)Nc2cccc(O)c2NC(=O)c2ccc(N3CCCN(Cc4ccccc4)CC3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.73
KLKB1 P03952 1/20 0.73
MAPT P10636 3/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
HSD17B10 Q99714 2/20 0.62
KMT2A Q03164 1/20 0.62
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
KDM4E B2RXH2 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL5396352 0.88 F10 (0.78) F10KLKB1
SCHEMBL9979803 0.86 F10 (0.73) F10KLKB1
Hydrochloric Acid SCHEMBL5403614 0.85 F10 (0.72) F10KLKB1
SCHEMBL2230035 0.85 F10 (1.00) F10KLKB1
Darexaban SCHEMBL2227024 0.85 F10 (1.00) F10KLKB1
SCHEMBL5410384 0.84 F10 (0.81) F10KLKB1
SCHEMBL6645784 0.83 F10 (0.79) F10KLKB1
Darexaban SCHEMBL5406349 0.82 F10 (0.90) F10KLKB1
SCHEMBL5408827 0.81 F10 (0.77) F10KLKB1
SCHEMBL5393256 0.81 MAPT (0.63) F10KLKB1MAPTL3MBTL1HSD17B10

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