SCHEMBL11523201

SCHEMBL11523201

O=[N+]([O-])c1cnc(Sc2nccnc2Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
ALDH1A1 P00352 3/20 0.55
TLR9 Q9NR96 3/20 0.55
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55
MAPK1 P28482 2/20 0.55
HTT P42858 2/20 0.55
AGTR1 P30556 2/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPK8 P45983 9/20 0.52
MAPK9 P45984 9/20 0.52
MAPK10 P53779 2/20 0.52
TDP1 Q9NUW8 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 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
SCHEMBL11504495 0.78 MAPK8 (0.54) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11518318 0.77 NPC1 (0.49) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11523235 0.75 MAPT (0.60) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11519332 0.75 NPC1 (0.68) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11430427 0.74 MAPK8 (0.79) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11504699 0.74 MAPK8 (0.50) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11495617 0.73 MAPK8 (0.52) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11883361 0.73 MAPK8 (0.58) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL11522924 0.72 NPC1 (0.60) MAPTNPC1RAB9ANPSR1ALDH1A1
SCHEMBL8050359 0.71 NPC1 (0.55) MAPTNPC1RAB9ANPSR1ALDH1A1

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-4174394-A CONTROL OF BACTERIA AND FUNGI THE DOW CHEMICAL COMPANY (US) 1979-11-13 US claimed
US-4174394-A CONTROL OF BACTERIA AND FUNGI THE DOW CHEMICAL COMPANY (US) 1979-11-13 US disclosed