SCHEMBL7988799

SCHEMBL7988799

O=c1[nH]c(-c2ccccn2)nc2ncn(CCCc3ccccc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CNOT7 Q9UIV1 2/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
RECQL P46063 1/20 0.40
MDM2 Q00987 1/20 0.40
KRAS P01116 1/20 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
SCHEMBL7985285 0.93 ALDH1A1 (0.47) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7984240 0.86 LMNA (0.58) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7985490 0.86 ALDH1A1 (0.56) LMNACNOT7ALDH1A1NPC1GAA
SCHEMBL7991648 0.85 KDM4E (0.54) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7988804 0.83 CNOT7 (0.55) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7974041 0.82 KDM4E (0.51) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7985608 0.82 LMNA (0.53) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7984488 0.82 LMNA (0.53) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7984463 0.82 KDM4E (0.53) LMNAKDM4EPOLBMAPK1CNOT7
SCHEMBL7974613 0.79 CNOT7 (0.49) LMNAKDM4EPOLBMAPK1CNOT7

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