SCHEMBL9658554

SCHEMBL9658554

CNCCc1ccc2c(c1)[S+]([O-])CN2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9437760 0.90 L3MBTL1 (0.41) MAPTTP53CYP1A2ALOX15TSHR
SCHEMBL9685789 0.81 SKP2 (0.41) TP53CYP1A2TSHRMAPK1HSD17B10
SCHEMBL9204489 0.80 KDM4E (0.34) CYP1A2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5494452 0.79 SKP2 (0.37) TP53HIF1AHSD17B10KDM4EALDH1A1
SCHEMBL27321209 0.78 SIGMAR1 (0.51) ADRA2CADRA1AADRA2BSIGMAR1CHRM1
SCHEMBL7756747 0.78
SCHEMBL8114298 0.77 HRH1 (0.37) CYP1A2SIGMAR1HTR2A
SCHEMBL7765516 0.76 RECQL (0.31)
SCHEMBL9208886 0.76 IDH1 (0.39) CYP1A2TSHRLMNATAAR1ADRA2A
SCHEMBL7761674 0.72 CYP1A2 (0.41) CYP1A2ALOX15SIGMAR1

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
EP-0478446-A1 Heterocyclic alkylamines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-04-01 EP disclosed