SCHEMBL4079893

SCHEMBL4079893

COc1cc(C=NN(C(=O)O)c2cccc(N(N=Cc3cc(OC)cc(OC)c3)C(=O)O)c2)cc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 2/20 0.45
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
TSHR P16473 1/20 0.40
CHRM5 P08912 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 0.90 G6PC1 (0.56) G6PC1MEN1KMT2ACHRM5MAPT
SCHEMBL4080914 0.76 ALDH1A1 (0.49) MEN1KMT2ALMNAMAPTALOX12
SCHEMBL4074955 0.74 MEN1 (0.41) G6PC1MEN1KMT2ATSHRLMNA
SCHEMBL1577336 0.74 CRHBP (0.38) MEN1KMT2ATSHRLMNAMAPT
SCHEMBL4072093 0.71 G6PC1 (0.41) G6PC1ABL1BCRMEN1KMT2A
SCHEMBL4789340 0.71 MTNR1A (0.47) LMNA
SCHEMBL11838597 0.67 TSHR (0.53) G6PC1MEN1KMT2ATSHRMAPT
SCHEMBL23346763 0.66 CHRM5 (0.49) G6PC1MEN1KMT2ACHRM5LMNA
SCHEMBL6410526 0.66 CA1 (0.44) G6PC1MEN1KMT2ALMNAMAPT
SCHEMBL6410523 0.66 CA1 (0.44) G6PC1MEN1KMT2ALMNAMAPT

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