SCHEMBL9570366

SCHEMBL9570366

C[N+](C)(C)CCCN1c2ccccc2[S+]([O-])c2ccc(Cl)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
CYP3A4 P08684 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC22A1 O15245 1/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
TSHR P16473 1/20 0.42
ADRA2B P18089 1/20 0.42

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
Bromide SCHEMBL8869261 0.99 MEN1 (0.41) MEN1TP53CYP3A4KMT2ASLC22A1
SCHEMBL9570347 0.88
Bromide SCHEMBL8870582 0.87
SCHEMBL11077473 0.83 HTR2A (0.47) MEN1TP53CYP3A4KMT2ASLC22A1
Chloropromazine Sulfoxide SCHEMBL31540233 0.82 CYP2D6 (0.62) MEN1TP53CYP3A4KMT2ASLC22A1
Chloropromazine Sulfoxide SCHEMBL30463300 0.82 CYP2D6 (0.62) MEN1TP53CYP3A4KMT2ASLC22A1
Chloropromazine Sulfoxide SCHEMBL1155596 0.82 CYP2D6 (0.62) MEN1TP53CYP3A4KMT2ASLC22A1
Chloropromazine Sulfoxide SCHEMBL9724483 0.81 LMNA (0.63) MEN1TP53CYP3A4KMT2ASLC22A1
SCHEMBL18752073 0.81 DRD2 (0.63) MEN1TP53CYP3A4KMT2ASLC22A1
SCHEMBL10925157 0.78 CYP2D6 (0.62) MEN1TP53CYP3A4KMT2ASLC22A1

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-0572308-A2 Heterocyclic derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-12-01 EP disclosed