SCHEMBL7984239

SCHEMBL7984239

COc1cccc(Cn2cnc(N)c2C(N)=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
TP53 P04637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LPO P22079 3/20 0.48
ROCK2 O75116 3/20 0.48
ROCK1 Q13464 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
QPCT Q16769 2/20 0.47
CMA1 P23946 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
YTHDC1 Q96MU7 1/20 0.45
NR3C2 P08235 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
SLC2A1 P11166 1/20 0.44

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
SCHEMBL7987441 0.85 MEN1 (0.49) ROCK2ROCK1QPCTCMA1QPCTL
SCHEMBL7975372 0.84 ALDH1A1 (0.51) ADRA1DTP53LMNAMAPTMEN1
SCHEMBL7987245 0.82 ROCK2 (0.47) ROCK2LMNAQPCTQPCTL
SCHEMBL7992368 0.81 TP53 (0.47) ADRA1DTP53RXFP1LPOMAPT
SCHEMBL7974026 0.81 KDM4E (0.58) ADRA1DLMNAKMT2AADORA2AADORA1
SCHEMBL7974168 0.81 CDK9 (0.45) ROCK2ROCK1MAPTNR3C2SLC2A1
SCHEMBL31333074 0.81 TP53 (0.53) ADRA1DTP53RXFP1LPOROCK2
SCHEMBL7988093 0.81 FYN (0.43) KMT2AYTHDC1
SCHEMBL5483136 0.80 PKM (0.59) ADRA1DLMNAADORA2A
SCHEMBL7985340 0.80 NTRK1 (0.51) ADRA1DLMNAMAPTMEN1KMT2A

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