SCHEMBL4453754

SCHEMBL4453754

[c]1nc2ccccc2c(-c2nccs2)c1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
RAB9A P51151 2/20 0.35
PKM P14618 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GFER P55789 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
TGFBR1 P36897 1/20 0.35
MYC P01106 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL7108698 0.72 RAB9A (0.38) KMT2AMEN1POLBRAB9ATGFBR1
SCHEMBL5349589 0.72 MYC (0.49) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL16062228 0.64 PDPK1 (0.43) KDM4EKMT2AMAPTMEN1POLB
SCHEMBL577445 0.63 RAB9A (0.49) KMT2AMEN1RAB9ATGFBR1PDPK1
SCHEMBL27676701 0.62 MYC (0.42) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL28464800 0.62 CYP19A1 (0.40) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL28636603 0.62 MYC (0.44) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL3417300 0.61 RAB9A (0.50) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL28866322 0.60 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL26259375 0.60 PDPK1 (0.59) ALDH1A1KDM4EMAPTRAB9APKM

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-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US claimed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP claimed
EP-0361341-A2 Therapeutics for aids based on inhibitors of HIV protease MILES INC. (US) 1990-04-04 EP disclosed