SCHEMBL10180744

SCHEMBL10180744

CCCc1cccc(S(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.42
HTR6 P50406 2/20 0.40
CA2 P00918 1/20 0.38
METAP2 P50579 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
CNR2 P34972 2/20 0.37
GRM2 Q14416 2/20 0.36
PNMT P11086 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.36
TNF P01375 1/20 0.36
RAB9A P51151 1/20 0.36
NOD1 Q9Y239 1/20 0.36
RORC P51449 1/20 0.35
PSIP1 O75475 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL10181303 0.91 TRPV1 (0.42) HTR6CA2METAP2CNR2TRPV1
SCHEMBL10180377 0.87 LOXL2 (0.41) KAT6ACYP3A4CYP2C19PNMTCYP2D6
SCHEMBL10180981 0.83 PSIP1 (0.52) KAT6AHTR6CA2METAP2CNR2
SCHEMBL10180467 0.81 HTR2A (0.41) CYP3A4CYP2C19GRM2PNMTCYP2D6
SCHEMBL9303097 0.81 PNMT (0.44) CA2CYP3A4CYP2C19PNMTCYP2D6
SCHEMBL10181753 0.81 LMNA (0.47) KAT6AHTR6CA2METAP2CNR2
SCHEMBL10181581 0.80 CA2 (0.55) CA2CNR2CYP2D6RORCPSIP1
SCHEMBL27876496 0.78 HTR6 (0.61) KAT6AHTR6CA2METAP2CNR2
SCHEMBL10180777 0.78 KAT6A (0.50) KAT6AHTR6METAP2CNR2CYP2D6
SCHEMBL10180743 0.77 KAT6A (0.41) KAT6AHTR6CA2METAP2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed