SCHEMBL10180377

SCHEMBL10180377

CCc1cccc(S(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
KAT6A Q92794 1/20 0.40
MAPT P10636 2/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PNMT P11086 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
TNF P01375 1/20 0.37
NOD1 Q9Y239 1/20 0.37
PSIP1 O75475 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL10180744 0.87 KAT6A (0.42) KAT6ACYP3A4CYP2C19NPC1RAB9A
SCHEMBL10181303 0.84 TRPV1 (0.42) LMNASMN1; SMN2
SCHEMBL10180467 0.84 HTR2A (0.41) MAPTCYP3A4CYP2C19NPC1RAB9A
SCHEMBL9303097 0.84 PNMT (0.44) MAPTCYP3A4CYP2C19NPC1RAB9A
SCHEMBL10066425 0.82 PSIP1 (0.56) LOXL2KAT6AMAPTNPC1RAB9A
SCHEMBL4254023 0.80 LOXL2 (0.46) LOXL2KAT6AMAPTNPC1RAB9A
SCHEMBL10182305 0.79 LMNA (0.45) LOXL2KAT6AMAPTNPC1RAB9A
SCHEMBL10181399 0.79 CA2 (0.52) MAPTALDH1A1L3MBTL1PNMTPSIP1
SCHEMBL10180811 0.78 HDAC4 (0.46) MAPTCYP3A4CYP2C19ALDH1A1PNMT
SCHEMBL776129 0.77 MEN1 (0.42) KAT6ACYP3A4CYP2C19L3MBTL1PNMT

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