SCHEMBL21361556

SCHEMBL21361556

[O-][S+](NCCCN(CCCN[S+]([O-])N1CCCCC1)Cc1ccccc1)N1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.38
CACNA1B Q00975 1/20 0.36
HTT P42858 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
APP P05067 1/20 0.34
ACKR3 P25106 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL21361554 0.71 HPGD (0.46) DPP7HTT
SCHEMBL5120051 0.67 SIGMAR1 (0.53) DPP7HRH3
SCHEMBL7200272 0.64 APP (0.48) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL465332 0.64 ACKR3 (0.52) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL24196895 0.64 PRMT6 (0.51)
SCHEMBL1239442 0.64 L3MBTL1 (0.55) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL11795941 0.63 HDAC3 (0.56) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL4974601 0.63 HDAC3 (0.61) HTTHDAC3HDAC1HDAC2HDAC8
SCHEMBL7205397 0.63 REN (0.49)
SCHEMBL13215087 0.63 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8NCOR2

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
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed