SCHEMBL4977321

SCHEMBL4977321

COCc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1S(=O)(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 6/20 0.39
PLA2G7 Q13093 1/20 0.38
GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL4977173 0.78 SLC22A12 (0.41) SLC22A12MEN1KMT2ASMN1; SMN2SCN9A
SCHEMBL2994131 0.73 SLC22A12 (0.36) SLC22A12SCN9A
SCHEMBL2998412 0.71 NR1H3 (0.41) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL3002774 0.70 PTGDR2 (0.42) LMNAMAPTKMT2A
SCHEMBL3003286 0.69 RORC (0.33) MAPT
SCHEMBL3337435 0.68 HPGD (0.41) LMNAMAPTHTTKMT2ASMN1; SMN2
SCHEMBL2989493 0.68 FFAR2 (0.32) SCN9A
SCHEMBL3003236 0.68 ACLY (0.39) LMNAMAPTKMT2A
SCHEMBL2999818 0.68 SLC22A12 (0.42) SLC22A12MEN1KMT2ASCN9A
SCHEMBL3336934 0.67 HPGD (0.40) LMNAMAPTHTTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124614-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2008-10-16 WO disclosed