SCHEMBL7974093

SCHEMBL7974093

COc1cccc(Cn2cnc3nc(-c4cccc(Cl)c4)nc(O)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
YTHDC1 Q96MU7 1/20 0.45
TP53 P04637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX15 P16050 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ROCK2 O75116 3/20 0.41
MAPT P10636 1/20 0.40
CCR2 P41597 1/20 0.40
P2RX7 Q99572 1/20 0.40
HTT P42858 2/20 0.40

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
SCHEMBL7991874 0.96 GAA (0.48) GAAYTHDC1TP53RXFP1MEN1
SCHEMBL7985850 0.93 GAA (0.49) GAAYTHDC1TP53RXFP1ABCG2
SCHEMBL7984696 0.90 GAA (0.47) GAAYTHDC1TP53RXFP1ABCG2
SCHEMBL7974584 0.90 GAA (0.56) GAAYTHDC1TP53RXFP1MEN1
SCHEMBL7974018 0.90 GAA (0.53) GAAYTHDC1TP53RXFP1MEN1
SCHEMBL7973626 0.90 SMN1; SMN2 (0.45) YTHDC1HTT
SCHEMBL7985653 0.89 GAA (0.46) GAAYTHDC1TP53RXFP1MEN1
SCHEMBL7974314 0.88 GAA (0.46) GAAYTHDC1TP53RXFP1CYP1A2
SCHEMBL7974012 0.88 ALDH1A1 (0.41) GAAKMT2AABCG2HTTALDH1A1
SCHEMBL7985378 0.87 TSHR (0.47) GAAYTHDC1TP53RXFP1MEN1

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