SCHEMBL4074955

SCHEMBL4074955

C=Cc1cccc(C=NN(C(=O)O)c2cccc(N(N=Cc3cccc(C=C)c3)C(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
G6PC1 P35575 2/20 0.33
FURIN P09958 1/20 0.33
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL4073070 0.79 G6PC1 (0.56) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL4080914 0.78 ALDH1A1 (0.49) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4079893 0.74 G6PC1 (0.45) MEN1KMT2AMAPTLMNAPTGS2
SCHEMBL4078063 0.73 PTGS2 (0.36) MEN1KMT2AMAPTLMNAPTGS2
SCHEMBL1577336 0.73 CRHBP (0.38) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL1536837 0.70 TP53 (0.44) KMT2AMAPTPTGS2TP53TDP1
SCHEMBL1576962 0.70 CRHBP (0.38) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL4071590 0.70 HDAC8 (0.52) MEN1KMT2AMAPTLMNATDP1
SCHEMBL8241465 0.68 ALDH1A1 (0.48) KMT2AMAPTPTGS2TP53TDP1
Urea SCHEMBL29001189 0.67 TDP1 (0.52) MEN1KMT2APTGS2TP53TDP1

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