SCHEMBL13201744

SCHEMBL13201744

C[C@H](OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl)C(=O)NS(=O)(=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
SCN9A Q15858 15/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL2974995 0.87
SCHEMBL2970877 0.87
SCHEMBL2970879 0.87
SCHEMBL7252349 0.86 SCN9A (0.37) SCN9ADHODH
SCHEMBL4065246 0.86 SCN9A (0.42) SCN9A
SCHEMBL9587280 0.85 LMNA (0.35) LMNATHRBSMN1; SMN2DHODH
SCHEMBL26942159 0.85 DHODH (0.33) LMNATHRBSMN1; SMN2DHODH
SCHEMBL26942162 0.85 DHODH (0.33) LMNATHRBSMN1; SMN2DHODH
SCHEMBL2976874 0.85 DHODH (0.33) LMNATHRBSMN1; SMN2DHODH
SCHEMBL2966474 0.84 LMNA (0.33) LMNATHRBSMN1; SMN2DHODH

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
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed