SCHEMBL13569005

SCHEMBL13569005

O=C(CCCNc1ccc(C(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1)N/N=C/c1ccc(N2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.59
CA9 Q16790 9/20 0.59
CA1 P00915 8/20 0.59
CA12 O43570 3/20 0.59
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
CA7 P43166 6/20 0.52
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL4082049 0.85 RAB9A (0.66) CA2CA9CA1MAPTMEN1
SCHEMBL13569037 0.85 RAB9A (0.66) CA2CA9CA1MAPTMEN1
SCHEMBL4074184 0.82 RAB9A (0.60) CA2CA9CA1MAPTMEN1
SCHEMBL13568880 0.82 RAB9A (0.60) CA2CA9CA1MAPTMEN1
SCHEMBL13569028 0.81 GRK2 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4075143 0.81 GRK2 (0.62) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL10061533 0.79 CA2 (0.72) CA2CA9CA1CA12ALDH1A1
SCHEMBL13568966 0.78 POLB (0.50) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL4073741 0.78 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL13568977 0.78 MEN1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E

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