SCHEMBL4075137

SCHEMBL4075137

CN(C)Cc1c(CCCC(=O)NN)[nH]c2ccc(C(=O)NN)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 7/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTR1F P30939 1/20 0.39
HTT P42858 1/20 0.38
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36

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
SCHEMBL4076192 0.81 KDM4E (0.45) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL4071197 0.73 LMNA (0.35) MEN1KMT2AATML3MBTL1MAPT
SCHEMBL27370614 0.73 MAPT (0.51) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27968518 0.69 KDM4E (0.63) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL4079956 0.69 MTNR1A (0.42) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL1061505 0.68 KDM4E (0.67) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL4075252 0.64 HDAC3 (0.44) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL13697479 0.64 KDM4E (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27825029 0.62 ALDH1A1 (0.59) MEN1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL8583739 0.62 MAPT (0.49) MEN1KMT2AMAPTKDM4EALDH1A1

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