SCHEMBL9503416

SCHEMBL9503416

O=[N+]([O-])c1ccccc1OC1CCSCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.52
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RECQL P46063 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
PDE5A O76074 1/20 0.40
ESR2 Q92731 1/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL11044936 0.89 SCD (0.58) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL31540614 0.89 SCD (0.58) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL1473123 0.85 SCD (0.55) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL11556623 0.85 SCD (0.55) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL3800700 0.84 SCD (0.54) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL3805044 0.83 SCD (0.53) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL7419208 0.81 SMN1; SMN2 (0.45) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL83015 0.81 HRH1 (0.54) SCDALDH1A1TDP1NPC1RAB9A
SCHEMBL11453761 0.80 ALDH1A1 (0.55) SCDALDH1A1TDP1NPC1RAB9A
Hydrochloric Acid SCHEMBL70340 0.80 HRH1 (0.53) SCDALDH1A1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed