SCHEMBL7984281

SCHEMBL7984281

Oc1nc(-c2ccc(F)cc2)nc2ncn(Cc3ccc(F)cc3)c12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.52
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK14 Q16539 1/20 0.37
KMT2A Q03164 1/20 0.37
QPCT Q16769 2/20 0.37
QPCTL Q9NXS2 1/20 0.37
GRM2 Q14416 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SOS1 Q07889 1/20 0.35

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
SCHEMBL7985165 0.94 MET (0.47) METHDAC1HDAC6CYP11B2CYP11B1
SCHEMBL7974507 0.94 MET (0.46) METCYP11B2CYP11B1SMN1; SMN2KMT2A
SCHEMBL7986521 0.94 CYP11B1 (0.47) METCYP11B2CYP11B1SMN1; SMN2KMT2A
SCHEMBL7985275 0.93 MET (0.46) METHDAC6CYP11B2CYP11B1MAPK14
SCHEMBL7987361 0.91 MET (0.45) METHDAC1HDAC6MAPK14
SCHEMBL7988638 0.88 MET (0.42) METCYP11B2CYP11B1HTTSMN1; SMN2
SCHEMBL7988734 0.88 MET (0.44) METHDAC1HDAC6CYP11B2CYP11B1
SCHEMBL7988817 0.88 SMN1; SMN2 (0.43) METHTTSMN1; SMN2MAPK14KDM4E
SCHEMBL7985613 0.87 MET (0.46) METHDAC1HDAC6CYP11B2CYP11B1
SCHEMBL7974416 0.86 MET (0.43) METHDAC1HDAC6CYP11B2CYP11B1

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