SCHEMBL4775466

SCHEMBL4775466

CCc1[nH]c2cc(OC(F)(F)F)ccc2c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.49
TRPA1 O75762 5/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
DHODH Q02127 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
DDR1 Q08345 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL11066785 0.75 KIF11 (0.46) KIF11DHODHKMT2ASCN10AGSK3B
SCHEMBL22152175 0.75 CHRNB2 (0.45) KDM4EGAAKMT2A
SCHEMBL27350234 0.70 PDE9A (0.50) KIF11KDM4EGAAKMT2A
SCHEMBL23885425 0.69 NSD2 (0.57) KIF11TRPA1SCN5ASCN9ADHODH
SCHEMBL12109387 0.68 IMPDH2 (0.56) KIF11TRPA1SCN5ASCN9AKDM4E
SCHEMBL28083895 0.67 AR (0.46) TRPA1SCN5ASCN9ACTSSCTSK
SCHEMBL3119854 0.65 KIF11 (0.64) KIF11TRPA1SCN5ASCN9AKDM4E
SCHEMBL982356 0.65 KDM4E (0.53) KDM4EHTR7HTR6GAAKMT2A
SCHEMBL7256074 0.65 KIF11 (0.69) KIF11TRPA1SCN5ASCN9AKDM4E
SCHEMBL7033184 0.64 KIF11 (0.58) KIF11TRPA1SCN5ASCN9ADHODH

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-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed