SCHEMBL2011330

SCHEMBL2011330

COc1cc2c(c(C(C)(C)C)c1NS(=O)(=O)CCl)OC(C)(C)[C@H](O)[C@H]2OC(=O)NCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.38
KCNA3 P22001 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 2/20 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
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2875594 0.83 KCNA5 (0.42) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2883991 0.76 KCNA5 (0.42) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2011333 0.74 ALDH1A1 (0.36) KCNA5KCNA3TDP1NPC1RAB9A
SCHEMBL2011332 0.74 ALDH1A1 (0.36) KCNA5KCNA3TDP1NPC1RAB9A
SCHEMBL2877931 0.73 NPC1 (0.41) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2891901 0.73 NPC1 (0.41) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2891256 0.71 ALDH1A1 (0.42) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2891249 0.71 KCNA3 (0.40) KCNA5KCNA3NPC1RAB9AALDH1A1
SCHEMBL2891644 0.70 KCNA5 (0.42) KCNA5NPC1RAB9A
SCHEMBL2887604 0.70 NPC1 (0.52) KCNA5KCNA3NPC1RAB9AALDH1A1

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