SCHEMBL5401508

SCHEMBL5401508

COc1ccc(NC(=O)c2cc(O)ccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.81
RAB9A P51151 2/20 0.70
NPC1 O15118 1/20 0.70
KLKB1 P03952 1/20 0.67
ALDH1A1 P00352 1/20 0.64
MAPT P10636 1/20 0.64
NR4A1 P22736 1/20 0.64
KMT2A Q03164 1/20 0.64
MCL1 Q07820 1/20 0.64

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
SCHEMBL5409547 0.94 F10 (0.81) F10RAB9ANPC1KLKB1ALDH1A1
SCHEMBL9976456 0.90 F10 (0.72) F10RAB9ANPC1MAPTKMT2A
SCHEMBL5403144 0.84 F10 (1.00) F10RAB9ANPC1KLKB1
SCHEMBL5398111 0.84 F10 (1.00) F10RAB9ANPC1KLKB1
SCHEMBL31254451 0.84 RAB9A (1.00) F10RAB9ANPC1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5441402 0.84 F10 (1.00) F10RAB9ANPC1KLKB1
SCHEMBL9976457 0.83 F10 (0.70) F10RAB9ANPC1ALDH1A1MAPT
Darexaban SCHEMBL2227024 0.80 F10 (1.00) F10KLKB1
SCHEMBL2230035 0.80 F10 (1.00) F10KLKB1
SCHEMBL13856556 0.79 MAPT (1.00) F10RAB9ANPC1ALDH1A1MAPT

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 5 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
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