SCHEMBL6639396

SCHEMBL6639396

COCc1cc(C)nc2c(O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.52
ALOX12 P18054 3/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
METAP2 P50579 1/20 0.44
MAPT P10636 5/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE10A Q9Y233 2/20 0.41
CYP1A2 P05177 1/20 0.41
PARP1 P09874 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL6640320 0.84 KMT2A (0.57) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL2877622 0.83 KDM4E (0.47) KDM4EALOX12KMT2AMEN1METAP2
SCHEMBL30587191 0.83 KDM4E (0.47) KDM4EALOX12KMT2AMEN1METAP2
SCHEMBL8024297 0.81 KDM4E (0.46) KDM4EALOX12KMT2AMEN1METAP2
SCHEMBL8072010 0.81 KDM4E (0.46) KDM4EALOX12KMT2AMEN1METAP2
SCHEMBL27527696 0.81 KDM4E (0.46) KDM4EALOX12KMT2AMEN1METAP2
SCHEMBL10045562 0.80 KDM4E (0.45) KDM4EALOX12HTTNPC1RAB9A
SCHEMBL2875528 0.76 CRHR1 (0.55) KDM4EALOX12NPC1RAB9AKMT2A
SCHEMBL29555308 0.76 CRHR1 (0.55) KDM4EALOX12NPC1RAB9AKMT2A
SCHEMBL6643288 0.75 KDM4E (0.49) KDM4EALOX12HTTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807105-B1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2004-06-16 EP disclosed
US-5994368-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 US disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed