SCHEMBL6180159

SCHEMBL6180159

CC(O)c1ccc(Oc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
NPC1 O15118 1/20 0.64
TNF P01375 1/20 0.64
NOD1 Q9Y239 1/20 0.64
GAA P10253 3/20 0.59
BRD4 O60885 1/20 0.56
LIPE Q05469 9/20 0.56
LMNA P02545 1/20 0.56
MAPK1 P28482 4/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
GALR3 O60755 1/20 0.53
KCNQ3 O43525 1/20 0.53
KCNQ2 O43526 1/20 0.53
KCNE1 P15382 1/20 0.53
KCNQ1 P51787 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL6178349 0.87 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL31305896 0.87 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL1290892 0.87 RAB9A (0.69) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6179437 0.86 RAB9A (0.66) RAB9AL3MBTL1NPC1TNFNOD1
Hydrochloric Acid SCHEMBL1290991 0.86 RAB9A (0.68) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL3133529 0.85 RAB9A (0.71) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6179298 0.84 RAB9A (0.79) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL3138983 0.83 RAB9A (0.67) RAB9AL3MBTL1NPC1TNFNOD1
SCHEMBL6180370 0.82 KCNQ3 (0.56) RAB9AL3MBTL1NPC1GAAMAPK1
SCHEMBL3142668 0.82 RAB9A (0.66) 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