SCHEMBL7988942

SCHEMBL7988942

NCCc1nc2ncn(CCc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 7/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 1/20 0.45
HCAR2 Q8TDS4 4/20 0.44
HPGD P15428 1/20 0.43
PNP P00491 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL7988855 0.93 LMNA (0.56) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7985634 0.89 SMN1; SMN2 (0.57) CNOT7POLBALDH1A1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL7987615 0.88 SMN1; SMN2 (0.56) CNOT7ALDH1A1SMN1; SMN2KMT2AHCAR2
SCHEMBL7985079 0.88 KDM4E (0.49) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7974531 0.87 KDM4E (0.50) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL27746499 0.84 PNP (0.55) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7984707 0.84 CNOT7 (0.48) CNOT7KDM4ELMNAPOLBMAPK1
Hydrochloric Acid SCHEMBL7984347 0.83 CNOT7 (0.47) CNOT7KDM4ELMNAPOLBMAPK1
SCHEMBL7985314 0.82 SMN1; SMN2 (0.55) CNOT7KDM4ELMNAPOLBMAPK1
Hydrochloric Acid SCHEMBL7987741 0.81 SMN1; SMN2 (0.54) CNOT7KDM4ELMNAPOLBMAPK1

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