SCHEMBL9813161

SCHEMBL9813161

COc1ccc2c(c1Cl)[S+]([O-])c1ccccc1N2C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL341222 0.73 MAOA (0.43) DRD3ALDH1A1LMNAMEN1KMT2A
SCHEMBL23051919 0.67 OPRK1 (0.35) DRD2DRD3ALDH1A1LMNAMAPK1
SCHEMBL9813251 0.66 ALDH1A1 (0.43) DRD2DRD3ALDH1A1LMNAMAPK1
SCHEMBL9813140 0.66 MAOA (0.51) DRD3ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL8715342 0.65 TTR (0.32) DRD3MEN1KMT2AL3MBTL1
SCHEMBL9813219 0.64 MAPT (0.42) DRD2DRD3LMNAMAPT
SCHEMBL13023260 0.63 ACHE (0.41) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL14281164 0.63 HTR7 (0.35) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL8711081 0.62 ALDH1A1 (0.33) DRD3ALDH1A1MAPK1MAPTMEN1
SCHEMBL13023396 0.61 ACHE (0.35) DRD2DRD3ALDH1A1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138481-B1 LEUKOTRIENE BIOSYNTHESIS INHIBITORS MERCK FROSST CANADA INC. (CA) 1991-06-26 EP disclosed
US-4845083-A PHENOTHIAZINE DERIVATIVES AND ANALOGS MERCK FROSST CANADA, INC. (CA) 1989-07-04 US disclosed
EP-0138481-A2 Leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1985-04-24 EP disclosed