SCHEMBL24465322

SCHEMBL24465322

CCC1(c2cccc(C(=O)NS(=O)(=O)C(F)(F)F)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
CCR2 P41597 1/20 0.36
VCP P55072 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
DDR1 Q08345 6/20 0.35
HTR7 P34969 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGFR P43088 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL24465321 0.85 SCN5A (0.39) SCN5ASCN9ACCR2VCPHTR7
SCHEMBL26163124 0.73 SCN5A (0.42) SCN5ASCN9AVCPALDH1A1POLB
SCHEMBL26163072 0.73 FLT1 (0.56) ALDH1A1MEN1KMT2A
SCHEMBL26163053 0.71 HDAC1 (0.62) ALDH1A1MEN1KMT2AHDAC1
SCHEMBL22503070 0.71 ACHE (0.56) SCN5ASCN9AALDH1A1POLBNPSR1
SCHEMBL22789845 0.70 KAT6A (0.49) SCN5ASCN9AVCPMEN1KMT2A
SCHEMBL26163076 0.70 FLT1 (0.60) ALDH1A1
SCHEMBL9304077 0.70 PTGS1 (0.54) SCN5ASCN9AALDH1A1POLBNPSR1
SCHEMBL24465320 0.69 OPRM1 (0.33) ALDH1A1POLBMEN1KMT2A
SCHEMBL178335 0.69 HDAC3 (0.52) SCN5ASCN9AVCPMEN1KMT2A

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed