SCHEMBL6178759

SCHEMBL6178759

CC(=O)OC1=CCc2c(Oc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cn3)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
NPC1 O15118 2/20 0.52
TNF P01375 1/20 0.52
NOD1 Q9Y239 1/20 0.52
GAA P10253 3/20 0.50
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
GALR3 O60755 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAF1 P04049 1/20 0.42
LIPE Q05469 4/20 0.42
ALDH1A1 P00352 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
SCHEMBL6178821 0.97 RAB9A (0.49) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6180795 0.92 MAPT (0.47) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6177999 0.85 KCNQ3 (0.47) RAB9AL3MBTL1NPC1GAAMAPT
SCHEMBL6180304 0.83 MAPT (0.46) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6179205 0.80 RAB9A (0.57) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6182050 0.78 KCNQ3 (0.45) RAB9AL3MBTL1NPC1GAAMAPT
SCHEMBL6176705 0.78 CDK8 (0.45) RAB9ANPC1MAPTSMN1; SMN2HTR2C
SCHEMBL6178617 0.77 KEAP1 (0.46) RAB9AKDM4EALDH1A1HTR2C
SCHEMBL6179531 0.77 KCNQ3 (0.45) RAB9AL3MBTL1NPC1GAAMAPT
SCHEMBL6178473 0.76 RAB9A (0.53) RAB9AL3MBTL1NPC1TNFNOD1

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