SCHEMBL7985580

SCHEMBL7985580

COc1cccc(-c2nc(=O)c3c(ncn3Cc3cccc(F)c3)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RX7 Q99572 5/20 0.47
TP53 P04637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GRIN1 Q05586 3/20 0.45
GRIN2B Q13224 3/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGER3 P43115 1/20 0.42
GAA P10253 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41

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
SCHEMBL7974316 0.96 TP53 (0.48) HPGDKDM4ENPSR1P2RX7TP53
SCHEMBL7985852 0.93 TP53 (0.52) TP53RXFP1GAAROCK2ROCK1
SCHEMBL7974195 0.91 GAA (0.48) HPGDKDM4EP2RX7TP53RXFP1
SCHEMBL7974586 0.90 GAA (0.52) P2RX7TP53RXFP1GAA
SCHEMBL7991676 0.90 ACP1 (0.43) P2RX7GRIN1GRIN2BROCK2ROCK1
SCHEMBL7985381 0.90 HPGD (0.48) HPGDP2RX7TP53RXFP1CYP1A2
SCHEMBL7988752 0.90 TP53 (0.48) HPGDKDM4ENPSR1TP53RXFP1
SCHEMBL7991877 0.89 P2RX7 (0.47) P2RX7TP53RXFP1CYP1A2CYP3A4
SCHEMBL7974021 0.88 TP53 (0.51) P2RX7TP53RXFP1CYP1A2CYP3A4
SCHEMBL7985655 0.88 TP53 (0.48) HPGDTP53RXFP1GAAROCK2

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