SCHEMBL7974433

SCHEMBL7974433

COc1cccc(Cn2cnc(NC(=O)CN(C)C(=O)OC(C)(C)C)c2C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ADRA1D P25100 1/20 0.39
YTHDC1 Q96MU7 1/20 0.38
PTGER3 P43115 1/20 0.38
AURKA O14965 2/20 0.38
RPS6KB1 P23443 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
NR3C2 P08235 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
RAB9A P51151 1/20 0.37
PLK1 P53350 1/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL7974052 0.89 KDM4E (0.42) TP53RXFP1ADRA1DYTHDC1PTGER3
SCHEMBL7992102 0.89 HTR2C (0.41) AURKARPS6KB1MEN1KMT2AOPRD1
SCHEMBL7987693 0.84 TDP1 (0.34) TP53MAPTKMT2ANPC1RAB9A
SCHEMBL7988995 0.83 NR1H4 (0.38)
SCHEMBL7984765 0.83 GRM2 (0.36) MAPTMEN1KMT2A
SCHEMBL7992368 0.83 TP53 (0.47) TP53RXFP1ADRA1DYTHDC1PTGER3
SCHEMBL7991771 0.82 KMT2A (0.39) AURKARPS6KB1MAPTKMT2A
SCHEMBL7989013 0.81 TP53 (0.38) TP53RXFP1AURKARPS6KB1MAPT
SCHEMBL7992533 0.80 GLS (0.38) AURKARPS6KB1KMT2A
SCHEMBL7974264 0.80 HTR2C (0.40) AURKARPS6KB1OPRD1OPRK1

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