SCHEMBL7985274

SCHEMBL7985274

COc1cccc(Cn2cnc3nc(CCN)nc(O)c32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
YTHDC1 Q96MU7 1/20 0.42
QPCT Q16769 2/20 0.42
QPCTL Q9NXS2 1/20 0.42
LPO P22079 3/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MAOB P27338 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER2 P43116 1/20 0.41
AURKA O14965 1/20 0.39
PRKCB P05771 1/20 0.39
GRK2 P25098 1/20 0.39

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
SCHEMBL7984135 0.92 GAA (0.49) GAATP53RXFP1YTHDC1QPCT
SCHEMBL7984512 0.88 GAA (0.50) GAATP53RXFP1YTHDC1QPCT
SCHEMBL7992186 0.86 CYP11B1 (0.47) GAATAAR1ADORA2AADORA1MEN1
SCHEMBL7986363 0.85 GAA (0.48) GAATP53RXFP1YTHDC1LPO
Hydrochloric Acid SCHEMBL7974230 0.84 GAA (0.47) GAATP53RXFP1YTHDC1LPO
SCHEMBL7988533 0.84 TAAR1 (0.43) TAAR1MAOBROCK2ROCK1
SCHEMBL7988674 0.84 SMN1; SMN2 (0.43) TAAR1YTHDC1ADORA2AADORA1MAOB
SCHEMBL7985637 0.83 SMN1; SMN2 (0.43) GAARXFP1ADORA2AKMT2A
Hydrochloric Acid SCHEMBL7987616 0.82 SMN1; SMN2 (0.42) GAARXFP1ADORA2AKMT2A
SCHEMBL7985850 0.81 GAA (0.49) GAATP53RXFP1YTHDC1QPCT

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