SCHEMBL7984765

SCHEMBL7984765

CN(CC(=O)Nc1ncn(Cc2ccc(F)cc2)c1C(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
MAPK14 Q16539 1/20 0.35
KMT2A Q03164 3/20 0.35
CDK9 P50750 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CACNA1H O95180 3/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
BUB1 O43683 1/20 0.33

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
SCHEMBL7987693 0.92 TDP1 (0.34) KMT2ACACNA1HLMNAMAPTKDM4E
SCHEMBL7988995 0.91 NR1H4 (0.38) CACNA1HAAK1BUB1
SCHEMBL7992102 0.91 HTR2C (0.41) KMT2AMEN1KDM4EALDH1A1BUB1
SCHEMBL7989013 0.86 TP53 (0.38) KMT2ALMNAMAPTMEN1KDM4E
SCHEMBL7974052 0.86 KDM4E (0.42) CDK9MAPTKDM4ECNR2
SCHEMBL7974433 0.83 TP53 (0.40) KMT2AMAPTMEN1
SCHEMBL7991771 0.82 KMT2A (0.39) KMT2ALMNAMAPTKDM4EALDH1A1
SCHEMBL7974264 0.81 HTR2C (0.40) CYP11B1CYP11B2AAK1BUB1
SCHEMBL7987776 0.80 KDM4E (0.41) KMT2ALMNAKDM4EALDH1A1
SCHEMBL7991770 0.80 HTR2C (0.39) AAK1BUB1

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