SCHEMBL4773207

SCHEMBL4773207

N#CCCc1c(-c2ccc(C(N)=O)cc2)[nH]c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
CHEK2 O96017 1/20 0.39
TRPA1 O75762 2/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
JAK2 O60674 1/20 0.38
TACR1 P25103 1/20 0.38
ABL1 P00519 3/20 0.38
BCR P11274 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAT2A P31153 1/20 0.34
MEN1 O00255 1/20 0.34
CYP19A1 P11511 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
SCHEMBL5661635 0.87 MTNR1A (0.44) JAK2KDM4EGAACYP19A1
SCHEMBL4773204 0.71 CHEK2 (0.38) CHEK2ABL1BCRSLC6A2SLC6A4
SCHEMBL8297933 0.67 ABL1 (0.56) CHEK2ABL1BCRKMT2ASLC6A2
SCHEMBL4568161 0.67 MRGPRX4 (0.51) KIF11
SCHEMBL6362044 0.66 CXCR2 (0.59)
SCHEMBL6785873 0.66 KLK8 (0.40) KDM4EGAA
SCHEMBL324161 0.66 PARP10 (0.59) ABL1BCRKMT2ASLC6A2SLC6A4
SCHEMBL4568116 0.65 MRGPRX4 (0.52) KIF11
SCHEMBL2881346 0.65 SLC6A2 (0.37) TRPA1SCN9ASCN5AABL1BCR
Hydrochloric Acid SCHEMBL11888844 0.64 PARP10 (0.57) ABL1BCRKMT2ASLC6A2SLC6A4

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 4 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
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed