SCHEMBL7974265

SCHEMBL7974265

COc1cc(OC)cc(C(=O)Nc2ncn(Cc3ccccc3)c2C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CDC7 O00311 1/20 0.47
DAPK3 O43293 1/20 0.47
PAK4 O96013 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
CDK8 P49336 1/20 0.47
CLK2 P49760 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
CDK7 P50613 1/20 0.47
PRKX P51817 1/20 0.47
CDK5 Q00535 1/20 0.47
CAMK2D Q13557 1/20 0.47
DYRK1A Q13627 1/20 0.47
MELK Q14680 1/20 0.47

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
SCHEMBL7984937 0.92 ADORA3 (0.52) CDC7DAPK3PAK4CDK2FLT3
SCHEMBL7974029 0.91 ADORA3 (0.50) HDAC3HDAC1HDAC2HDAC8KMT2A
SCHEMBL7988231 0.88 NPC1 (0.47) HDAC3HDAC1HDAC2HDAC8CDK5
SCHEMBL7985340 0.88 NTRK1 (0.51) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL7973996 0.87 POLB (0.49) HDAC1HDAC8CDC7DAPK3PAK4
SCHEMBL7992192 0.86 HSD17B13 (0.46) HDAC1HDAC2CDK2KMT2AMEN1
SCHEMBL7975241 0.85 GAA (0.50) HDAC3HDAC1HDAC2HDAC8FLT3
SCHEMBL7984965 0.85 ALDH1A1 (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL7974318 0.83 HSD17B13 (0.43) HDAC3HDAC1HDAC2HDAC8FLT3
SCHEMBL7984687 0.82 NR1H4 (0.52) KMT2AMEN1MAPTTP53POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed