SCHEMBL4075252

SCHEMBL4075252

CN(CCCC(=O)NN)c1ccc(C(=O)NN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
LTA4H P09960 1/20 0.44
MAPT P10636 2/20 0.44
MPO P05164 1/20 0.43
CYP3A4 P08684 1/20 0.43
KDM5A P29375 1/20 0.43
BLM P54132 1/20 0.43
GFER P55789 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 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
SCHEMBL4074053 0.91 MAPT (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4250578 0.76 RAB9A (0.41) HDAC1HDAC6MAPTKDM4EALDH1A1
SCHEMBL963723 0.75 HDAC1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4254446 0.74 L3MBTL1 (0.50) CYP3A4KDM4EALDH1A1L3MBTL1
SCHEMBL4079538 0.73 MAPT (0.47) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL10905254 0.71 MMP14 (0.55) MAPTPMP22HIF1AALDH1A1LMNA
SCHEMBL964918 0.70 CTSD (0.50) LTA4HKDM5AKDM4EALDH1A1
SCHEMBL4072168 0.70 CA1 (0.54) MAPTMPOCYP3A4KDM5ABLM
SCHEMBL4072414 0.70 MPO (0.47) HDAC3HDAC1HDAC2MAPTMPO
SCHEMBL343630 0.70 MPO (0.80) HDAC3HDAC6MAPTMPOCYP3A4

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-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed