SCHEMBL1663623

SCHEMBL1663623

Cn1ccc(C(=O)Nc2ccc(C(=O)c3ccc(Nc4ccc(N5CCC(O)CC5)cc4)cc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
MAPT P10636 6/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
MCL1 Q07820 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGDS O60760 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM1A O60341 3/20 0.43
MAOA P21397 3/20 0.43

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
SCHEMBL1662766 0.96 RAB9A (0.51) RAB9ANPC1MAPTATMTP53
SCHEMBL1663624 0.96 RAB9A (0.51) RAB9ANPC1MAPTATMTP53
SCHEMBL8776655 0.89 MCHR1 (0.49) RAB9ANPC1MAPTATMTP53
SCHEMBL6125888 0.89 MCHR1 (0.49) RAB9ANPC1MAPTATMTP53
SCHEMBL6125886 0.89 MCHR1 (0.46) RAB9ANPC1MAPTATMTP53
SCHEMBL6125887 0.89 MCHR1 (0.46) RAB9ANPC1MAPTATMTP53
SCHEMBL1664275 0.86 MAPT (0.44) RAB9ANPC1MAPTATMTP53
SCHEMBL1664633 0.85 MAPT (0.43) RAB9ANPC1MAPTATMTP53
SCHEMBL1664278 0.85 MAPT (0.43) RAB9ANPC1MAPTATMTP53
SCHEMBL1664440 0.85 HPGDS (0.41) RAB9ANPC1MAPTATMTP53

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
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed