SCHEMBL13236403

SCHEMBL13236403

Cn1cc(S(=O)(=O)c2ccccc2F)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HTR6 P50406 11/20 0.45
ALDH1A1 P00352 1/20 0.42
IMPDH2 P12268 1/20 0.42
CA2 P00918 1/20 0.41
TP53 P04637 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL27249968 0.77 L3MBTL1 (0.67) L3MBTL1HTR6ALDH1A1CA2TP53
SCHEMBL19336961 0.76 L3MBTL1 (0.55) L3MBTL1ALDH1A1IMPDH2CA2GPR84
SCHEMBL27249887 0.76 L3MBTL1 (0.49) L3MBTL1HTR6ALDH1A1IMPDH2CA2
SCHEMBL30333632 0.75 AKR1B1 (0.53) L3MBTL1
SCHEMBL250919 0.75 AKR1B1 (0.53) L3MBTL1
SCHEMBL2124755 0.75 AKR1B1 (0.53) L3MBTL1
SCHEMBL29988896 0.75 HTR6 (0.64) L3MBTL1HTR6ALDH1A1IMPDH2
SCHEMBL2173879 0.75 CA2 (0.54) L3MBTL1ALDH1A1IMPDH2CA2GPR84
SCHEMBL11519226 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1IMPDH2CA2GPR84
SCHEMBL630954 0.75 L3MBTL1 (0.54) L3MBTL1ALDH1A1IMPDH2CA2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7750158-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-07-06 US disclosed