SCHEMBL4073070

SCHEMBL4073070

COc1cccc(C=NN(C(=O)O)c2cccc(N(N=Cc3cccc(OC)c3)C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PC1 P35575 1/20 0.56
CHRM5 P08912 1/20 0.53
TAAR1 Q96RJ0 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
FOS P01100 1/20 0.46
JUN P05412 1/20 0.46
MEN1 O00255 1/20 0.46
BCHE P06276 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.44
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
CYP3A4 P08684 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4079893 0.90 G6PC1 (0.45) G6PC1CHRM5ALDH1A1KMT2AFOS
SCHEMBL4074955 0.79 MEN1 (0.41) G6PC1ALDH1A1KMT2AMEN1NPC1
SCHEMBL4789340 0.76 MTNR1A (0.47)
SCHEMBL23346763 0.75 CHRM5 (0.49) G6PC1CHRM5TAAR1ALDH1A1KMT2A
SCHEMBL1577336 0.73 CRHBP (0.38) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL20080897 0.73 CHRM5 (0.60) G6PC1CHRM5TAAR1NPC1RAB9A
SCHEMBL22814819 0.72 CHRM5 (0.45) G6PC1CHRM5TAAR1ALDH1A1KMT2A
SCHEMBL4111701 0.71 CYP1A2 (0.68) CHRM5ALDH1A1KMT2AMEN1NPC1
SCHEMBL4111704 0.71 CYP1A2 (0.68) CHRM5ALDH1A1KMT2AMEN1NPC1
SCHEMBL2121150 0.71 CHRM5 (0.72) G6PC1CHRM5TAAR1NPC1RAB9A

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