SCHEMBL2011333

SCHEMBL2011333

COc1cc2c(cc1NS(=O)(=O)CCl)OC(C)(C)[C@@](O)(C(C)(C)C)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
KCNA3 P22001 1/20 0.35
KCNA5 P22460 2/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAAR1 Q96RJ0 3/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.34
ALOX5 P09917 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2011332 1.00 ALDH1A1 (0.36) ALDH1A1KCNA3KCNA5MAPTSMN1; SMN2
SCHEMBL2875594 0.84 KCNA5 (0.42) ALDH1A1KCNA3KCNA5MAPTSMN1; SMN2
SCHEMBL2889248 0.81 L3MBTL1 (0.34) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2883991 0.76 KCNA5 (0.42) ALDH1A1KCNA3KCNA5MAPTSMN1; SMN2
SCHEMBL2011330 0.74 KCNA5 (0.38) ALDH1A1KCNA3KCNA5MAPTSMN1; SMN2
SCHEMBL4941253 0.73 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GAA
SCHEMBL3599146 0.73 KCNE1 (0.40) ALDH1A1KCNA5CYP3A4
SCHEMBL3599142 0.73 KCNE1 (0.40) ALDH1A1KCNA5CYP3A4
SCHEMBL12580760 0.72 ABCB1 (0.42) KCNA5CYP3A4
SCHEMBL2891901 0.71 NPC1 (0.41) ALDH1A1KCNA3KCNA5MAPTSMN1; SMN2

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
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed