SCHEMBL6180795

SCHEMBL6180795

CC(=O)OC1=CCc2c(Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cn3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
RAF1 P04049 1/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 3/20 0.42
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
P2RY1 P47900 1/20 0.41
KDR P35968 2/20 0.40
FLT3 P36888 1/20 0.40
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
HTR2B P41595 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6178759 0.92 RAB9A (0.52) MAPTNPC1RAF1RAB9AL3MBTL1
SCHEMBL6180304 0.91 MAPT (0.46) MAPTNPC1SAE1UBA2RAF1
SCHEMBL6178821 0.91 RAB9A (0.49) MAPTNPC1RAF1RAB9AL3MBTL1
SCHEMBL6176705 0.84 CDK8 (0.45) MAPTNPC1RAB9AKDRHTR2C
SCHEMBL6181402 0.79 MAPT (0.49) MAPTNPC1SAE1UBA2RAF1
SCHEMBL6178666 0.78 MAPT (0.49) MAPTNPC1SAE1UBA2RAF1
SCHEMBL6178617 0.78 KEAP1 (0.46) RAB9AHTR2CKDM4EMEN1POLB
SCHEMBL6177999 0.77 KCNQ3 (0.47) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL6178810 0.77 KDR (0.46) MAPTNPC1SAE1UBA2RAF1
SCHEMBL6179603 0.76 CDK8 (0.44) MAPTNPC1RAB9AKDRHTR2C

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