SCHEMBL9686053

SCHEMBL9686053

CN1C[S+]([O-])c2cc(Cc3cccs3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTR6 P50406 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL9686135 0.79 IDH1 (0.38)
SCHEMBL9686026 0.75 LTA4H (0.35) HTR6MAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL8109679 0.72 MAPT (0.41) LMNAHTR6MAPTHSD17B10HPGD
SCHEMBL9684915 0.72 PARP1 (0.38) PTGS1PTGS2LMNATDP1MAPT
SCHEMBL8114240 0.72 KDM4E (0.37) PTGS1LMNATDP1MAPTHSD17B10
SCHEMBL7761425 0.72 GRIA2 (0.31)
Hydrochloric Acid SCHEMBL8870609 0.71 MAPT (0.43) LMNAHTR6MAPTHSD17B10HPGD
Hydrochloric Acid SCHEMBL8871802 0.71 LMNA (0.38) PTGS1LMNATDP1MAPTHSD17B10
SCHEMBL9684037 0.70 S1PR1 (0.38) PTGS1PTGS2LMNAHTR6HSD17B10
SCHEMBL7760492 0.70

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-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed