SCHEMBL4071375

SCHEMBL4071375

NNC(=O)CCCNC(=O)Cc1ccc(C(=O)NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.46
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
MPO P05164 1/20 0.43
CYP3A4 P08684 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
SCHEMBL4079410 0.91 HDAC1 (0.49) ATMHPGDGAAHDAC3HDAC4
SCHEMBL13827571 0.77 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4072414 0.76 MPO (0.47) HDAC3HDAC1HDAC2LMNAMPO
SCHEMBL2836138 0.75 CYP3A4 (0.53) GAAHDAC1POLBLMNAKMT2A
SCHEMBL12687825 0.75 HDAC6 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4074049 0.73 MPO (0.47) HDAC1HDAC8HDAC6LMNAMPO
SCHEMBL26290960 0.72 PLK1 (0.59) HPGDHDAC2HDAC8HDAC6LMNA
SCHEMBL4081019 0.72 PRSS1 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11796135 0.72 AOC2 (0.66) HPGDGAAHDAC8HDAC6KMT2A
SCHEMBL14648000 0.71 ATM (0.78) ATMHPGDGAAHDAC8HDAC6

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