SCHEMBL10180023

SCHEMBL10180023

O=S(=O)(c1ccc(C2CCCC2)cc1)C(F)C(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 6/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 2/20 0.40
XBP1 P17861 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HDAC1 Q13547 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
SCHEMBL10181352 0.98 LMNA (0.51) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10180201 0.82 HDAC4 (0.44) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10179903 0.81 KMO (0.45) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10180533 0.76 DRD2 (0.40) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10180298 0.75 LMNA (0.65) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10179910 0.74 LMNA (0.41) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL13833095 0.74 LMNA (0.48) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL12256487 0.74 LMNA (0.59) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10182181 0.74 LMNA (0.68) LMNAHTTSMN1; SMN2ALDH1A1MAPT
SCHEMBL10182152 0.73 LMNA (0.57) LMNAHTTSMN1; SMN2ALDH1A1MAPT

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