SCHEMBL7984368

SCHEMBL7984368

CCCC(=O)Nc1ncn(CCCc2ccccc2)c1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
CNR2 P34972 1/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNOT7 Q9UIV1 1/20 0.40
POLB P06746 4/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
TMIGD3 P0DMS9 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
SCHEMBL7974138 0.91 KMT2A (0.52) GAAMAPTKMT2ATSHRALDH1A1
SCHEMBL7987555 0.86 GAA (0.47) GSK3BGAAMAPTKMT2ATSHR
SCHEMBL7987930 0.85 KMT2A (0.57) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL7984506 0.83 EHMT2 (0.43) GAATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL7991550 0.82 GAA (0.45) GAATSHRALDH1A1POLBADORA1
SCHEMBL7987935 0.81 XDH (0.47) GAAKMT2ATSHRL3MBTL1ALDH1A1
SCHEMBL7992533 0.79 GLS (0.38) KMT2ATSHRALDH1A1CNOT7POLB
SCHEMBL7973823 0.79 NPC1 (0.48) MAPTKMT2AALDH1A1NPC1RAB9A
SCHEMBL7987763 0.79 RAB9A (0.44) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7988471 0.77 KDM4E (0.43) GSK3BGAAL3MBTL1SMN1; SMN2CNOT7

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