SCHEMBL8770593

SCHEMBL8770593

CC1OC(Cn2c(I)ccc2C(=O)Nc2ccc(Nc3ccc(NC(=O)c4ccc(N5CCC(O)CC5)cc4)cc3)cc2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MCL1 Q07820 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 6/20 0.39
MAOA P21397 6/20 0.39
MAOB P27338 6/20 0.39
KDM1B Q8NB78 6/20 0.39
RCOR1 Q9UKL0 6/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL13974580 0.90 LMNA (0.41) MAPTRAB9ANPC1ATMTP53
SCHEMBL1665243 0.78 MAPT (0.48) MAPTRAB9ANPC1ATMTP53
SCHEMBL8769706 0.78 RAB9A (0.58) MAPTRAB9ANPC1ATMTP53
SCHEMBL21254928 0.75 RAB9A (0.55) MAPTRAB9ANPC1ATMTP53
SCHEMBL1665074 0.75 RAB9A (0.52) MAPTRAB9ANPC1ATMTP53
SCHEMBL1664007 0.74 RAB9A (0.51) MAPTRAB9ANPC1ATMTP53
SCHEMBL1665239 0.74 SMN1; SMN2 (0.46) MAPTRAB9ANPC1TP53PKM
SCHEMBL1663295 0.73 HPGDS (0.63) MAPTRAB9ANPC1ATMTP53
SCHEMBL18745976 0.73 KMT2A (0.55) MAPTRAB9ANPC1ATMTP53
SCHEMBL1664311 0.73 KMT2A (0.55) MAPTRAB9ANPC1ATMTP53

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
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed