SCHEMBL6644261

SCHEMBL6644261

CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(C)c(COS(C)(=O)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6644197 0.88 GAA (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6642183 0.84 MAPT (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6641965 0.83 MAPT (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6643025 0.79 KMT2A (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6641473 0.78 GAA (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8367618 0.75 BDKRB2 (0.43) MAPTRAD52GAAPOLBCYP2C19
SCHEMBL6964596 0.73 GAA (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8802909 0.72 GAA (0.39) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6644195 0.71 MAPT (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6640229 0.70 POLB (0.42) MEN1KMT2AMAPTNPC1RAB9A

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 4 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
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
WO-1996013485-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-09 WO disclosed