SCHEMBL7974096

SCHEMBL7974096

COc1cccc(Cn2cnc3[nH]c(-c4cccc(Cl)c4)nc(=O)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
USP2 O75604 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
YTHDC1 Q96MU7 1/20 0.46
P2RX7 Q99572 4/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 2/20 0.43
ROCK2 O75116 3/20 0.43
CXCR2 P25025 1/20 0.43
LMNA P02545 2/20 0.43
ROCK1 Q13464 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7991877 0.96 P2RX7 (0.47) TP53RXFP1USP2CYP1A2CYP3A4
SCHEMBL7985852 0.93 TP53 (0.52) TP53RXFP1YTHDC1GAAMAPT
SCHEMBL7974586 0.90 GAA (0.52) TP53RXFP1P2RX7GAAMAPT
SCHEMBL7974021 0.90 TP53 (0.51) TP53RXFP1USP2CYP1A2CYP3A4
SCHEMBL7973628 0.90 SMN1; SMN2 (0.48) YTHDC1P2RX7CXCR2HTTGLA
SCHEMBL7985655 0.90 TP53 (0.48) TP53RXFP1MEN1KMT2AYTHDC1
SCHEMBL7974316 0.89 TP53 (0.48) TP53RXFP1USP2CYP1A2CYP3A4
SCHEMBL7984697 0.89 TP53 (0.48) TP53RXFP1YTHDC1P2RX7GAA
SCHEMBL7974015 0.88 PARN (0.49) USP2CYP1A2CYP2C9CYP2C19CXCR2
SCHEMBL7985381 0.88 HPGD (0.48) TP53RXFP1USP2CYP1A2CYP3A4

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