SCHEMBL7991877

SCHEMBL7991877

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
YTHDC1 Q96MU7 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7974096 0.96 TP53 (0.48) P2RX7TP53MAPTRXFP1GLA
SCHEMBL7985852 0.93 TP53 (0.52) TP53MAPTRXFP1GAAYTHDC1
SCHEMBL7974586 0.92 GAA (0.52) P2RX7TP53MAPTRXFP1GAA
SCHEMBL7973628 0.90 SMN1; SMN2 (0.48) P2RX7GLAHTTUBE2NSMN1; SMN2
SCHEMBL7985381 0.90 HPGD (0.48) P2RX7TP53MAPTRXFP1SMN1; SMN2
SCHEMBL7985580 0.89 HPGD (0.49) P2RX7TP53RXFP1SMN1; SMN2GAA
SCHEMBL7991545 0.89 TSHR (0.48) TP53MAPTRXFP1GAAMEN1
SCHEMBL7974021 0.88 TP53 (0.51) P2RX7TP53MAPTRXFP1GAA
SCHEMBL7974195 0.88 GAA (0.48) P2RX7TP53MAPTRXFP1GAA
SCHEMBL7985655 0.88 TP53 (0.48) TP53RXFP1HTTGAAYTHDC1

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