SCHEMBL6178666

SCHEMBL6178666

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(Oc2cccc3c2CCCC3=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SAE1 Q9UBE0 2/20 0.49
UBA2 Q9UBT2 2/20 0.49
NPC1 O15118 2/20 0.48
GAA P10253 4/20 0.47
RAF1 P04049 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
RAB9A P51151 2/20 0.45
TNF P01375 1/20 0.45
NOD1 Q9Y239 1/20 0.45
KDR P35968 2/20 0.45
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
MAPK1 P28482 2/20 0.42
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRAF P15056 1/20 0.42

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
SCHEMBL6181402 0.94 MAPT (0.49) MAPTSAE1UBA2NPC1GAA
SCHEMBL6179205 0.85 RAB9A (0.57) MAPTNPC1GAARAF1L3MBTL1
SCHEMBL6178473 0.84 RAB9A (0.53) MAPTNPC1GAARAF1L3MBTL1
SCHEMBL6181815 0.83 CDK8 (0.46) MAPTSAE1UBA2NPC1RAB9A
SCHEMBL6180304 0.80 MAPT (0.46) MAPTSAE1UBA2NPC1GAA
SCHEMBL6179593 0.80 MAOA (0.53) MAPTSAE1UBA2NPC1GAA
SCHEMBL3631886 0.79 KMT2A (0.53) MAPTGAAL3MBTL1MAPK1NPSR1
SCHEMBL6180795 0.78 MAPT (0.47) MAPTSAE1UBA2NPC1GAA
SCHEMBL6178259 0.76 KCNQ3 (0.50) MAPTNPC1GAAL3MBTL1RAB9A
SCHEMBL6176411 0.75 MRGPRX4 (0.57) MAPTL3MBTL1BRAFADRB2ADRB1

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
EP-1066261-B1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMA CO LTD (JP) 2005-11-23 EP disclosed
US-6511995-B1 Inhibits collagen synthesis, which is useful for prophylaxis or treatment of fibrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-01-28 US disclosed