SCHEMBL9867248

SCHEMBL9867248

Cn1cc([S+](C)[O-])c(=O)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
SCN9A Q15858 3/20 0.38
SCN5A Q14524 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KIF11 P52732 1/20 0.33
ADRB2 P07550 1/20 0.33
CES1 P23141 1/20 0.33
CHRM5 P08912 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
ATM Q13315 1/20 0.32
HTR6 P50406 1/20 0.31
PLA2G10 O15496 1/20 0.31
SERPINE1 P05121 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
SCHEMBL9868894 0.86 ALDH1A1 (0.36) ALDH1A1ATM
SCHEMBL9869020 0.85 ALDH1A1 (0.37) SCN9ASCN5AALDH1A1SMN1; SMN2KDM4E
SCHEMBL11401796 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EADRB2HTR6
SCHEMBL7322441 0.82 KIF11 (0.41) MAT2ASCN9ASCN5AKIF11
SCHEMBL11393569 0.80 PSEN1 (0.37) ALDH1A1
Flosequinan SCHEMBL5442796 0.80 ATM (0.47) SCN9AALDH1A1KDM4EATM
SCHEMBL10590122 0.80 MAT2A (0.42) MAT2ASCN9ASCN5AALDH1A1PPARG
Flosequinan SCHEMBL5441172 0.80 ATM (0.47) SCN9AALDH1A1KDM4EATM
Flosequinan SCHEMBL122877 0.80 ATM (0.47) SCN9AALDH1A1KDM4EATM
Flosequinan SCHEMBL6535622 0.79 ATM (0.46) SCN9AALDH1A1KDM4EATM

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
WO-1991002724-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-03-07 WO disclosed