SCHEMBL7420048

SCHEMBL7420048

CCOC(=O)CNC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc(CN(C#N)c1ccccc1)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
F10 P00742 2/20 0.50
HDAC6 Q9UBN7 4/20 0.38
HDAC1 Q13547 3/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
PLG P00747 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7420044 1.00 F2 (0.50) F2F10HDAC6HDAC1MAPK1
SCHEMBL7420051 0.82 F2 (0.55) F2F10HDAC6HDAC1MAPK1
SCHEMBL4451691 0.82 F2 (0.64) F2F10HDAC6SMN1; SMN2KMT2A
SCHEMBL4451687 0.82 F2 (0.64) F2F10HDAC6SMN1; SMN2KMT2A
SCHEMBL7420054 0.80 F2 (0.47) F2F10MAPK1SMN1; SMN2RECQL
SCHEMBL7097035 0.77 F2 (0.68) F2F10HDAC6MAPK1NPC1
SCHEMBL7416848 0.77 F2 (0.68) F2F10HDAC6MAPK1NPC1
SCHEMBL4443593 0.75 F2 (0.83) F2F10HDAC6NPC1RAB9A
SCHEMBL4443592 0.75 F2 (0.83) F2F10HDAC6NPC1RAB9A
SCHEMBL7415304 0.75 F2 (0.59) F2F10HDAC6SMN1; SMN2KMT2A

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-6248770-B1 CARDIOVASCULAR DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-06-19 US disclosed