SCHEMBL5366304

SCHEMBL5366304

CCCCC[S+]([O-])[S+]([O-])Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
DNM1 Q05193 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.39
EPHX2 P34913 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 2/20 0.38
KCNH2 Q12809 2/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL11223470 0.81 DNM1 (0.43) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL9245737 0.81 DNM1 (0.43) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL5074191 0.81 DNM1 (0.43) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL17104769 0.77 TP53 (0.39) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL8757335 0.77 DNM1 (0.46) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL8756273 0.76 DNM1 (0.47) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
SCHEMBL10949261 0.74 TSHR (0.44) DNM1MEN1KMT2ASMN1; SMN2CES2
Hydrochloric Acid SCHEMBL392156 0.74 MEN1 (0.46) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL1047242 0.74 DNM1 (0.46) SIGMAR1DNM1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9347559 0.74 MEN1 (0.46) SIGMAR1DNM1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007020428-A1 NOVEL PEROXIDASES AND USES UNIVERSITY OF SUSSEX (GB) 2007-02-22 WO claimed
WO-2007020428-A1 NOVEL PEROXIDASES AND USES UNIVERSITY OF SUSSEX (GB) 2007-02-22 WO disclosed