SCHEMBL9940053

SCHEMBL9940053

COc1ccc(C(=O)Nc2ccc(Cc3ccc(N4CCCN(CC5CC5)CC4)cc3)c(O)c2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.49
KLKB1 P03952 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NR4A1 P22736 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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 0.90 F10 (0.51) F10KLKB1MAPTKMT2AALDH1A1
SCHEMBL9979803 0.79 F10 (0.73) F10KLKB1
SCHEMBL5393256 0.79 MAPT (0.63) F10KLKB1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5403614 0.78 F10 (0.72) F10KLKB1
SCHEMBL5403408 0.78 F10 (0.51) F10KLKB1MAPTKMT2AALDH1A1
SCHEMBL5398796 0.72 KMT2A (0.51) F10KLKB1MAPTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL5399635 0.71 KMT2A (0.50) F10KLKB1MAPTKMT2AALDH1A1
SCHEMBL6235992 0.68 HDAC3 (0.54)
SCHEMBL9979731 0.67 F10 (0.73) F10KLKB1MAPTKMT2AL3MBTL1
SCHEMBL6132372 0.67 HDAC3 (0.53) KMT2AALDH1A1L3MBTL1

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