SCHEMBL5403408

SCHEMBL5403408

COc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(N4CCCN(C5CCC5)CC4)cc3)c(O)c2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.51
KLKB1 P03952 1/20 0.48
KMT2A Q03164 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
NR4A1 P22736 1/20 0.48
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5414603 0.86 F10 (0.51) F10KLKB1KMT2ARAB9AALDH1A1
SCHEMBL5398796 0.83 KMT2A (0.51) F10KLKB1KMT2ARAB9AALDH1A1
Hydrochloric Acid SCHEMBL5399635 0.82 KMT2A (0.50) F10KLKB1KMT2ARAB9AALDH1A1
SCHEMBL5393256 0.81 MAPT (0.63) F10KLKB1KMT2AALDH1A1MAPT
SCHEMBL9979767 0.79 F10 (0.75) F10KLKB1
SCHEMBL9940053 0.78 F10 (0.49) F10KLKB1KMT2ARAB9AALDH1A1
SCHEMBL3335278 0.69 F10 (0.70) F10KLKB1RAB9ANPC1
SCHEMBL4180936 0.68 KMT2A (0.54) F10KMT2ARAB9AALDH1A1MAPT
SCHEMBL2780086 0.67 SLC18A3 (0.67) KMT2AALDH1A1MAPTGAA
SCHEMBL2780091 0.67 SLC18A3 (0.67) KMT2AALDH1A1MAPTGAA

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 2 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 claimed
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 claimed