SCHEMBL21361466

SCHEMBL21361466

COc1ccccc1N1CCN(S(=O)(=O)N2CCCN(CC3CCC(CN(C)c4ccc(S(=O)(=O)N5CCCN(CC6CCCCC6)CCCN(S(=O)(=O)N6CCN(C(=O)OC(C)(C)C)CC6)C[C@@H](C)C5)cc4)CC3)CCCN(S(=O)(=O)c3ccc(N(C)C)cc3)C[C@H](C)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR7 P34969 3/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TGM2 P21980 1/20 0.37
REV1 Q9UBZ9 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 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
SCHEMBL23102067 0.88 ALDH1A1 (0.46) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL23102064 0.87 TGM2 (0.47) ALDH1A1LMNATGM2
SCHEMBL23102085 0.81 HTR6 (0.37) ALDH1A1LMNAHTR2ATGM2DRD2
SCHEMBL23102269 0.81 HTR1A (0.40) ALDH1A1LMNAHTTMAPTRECQL
SCHEMBL23102280 0.81 HTR6 (0.36) ALDH1A1LMNATGM2
SCHEMBL21361519 0.80 ALDH1A1 (0.34) ALDH1A1HTR2AHTR2CHTR7GAA
SCHEMBL21361616 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHTTMAPTTSHR
SCHEMBL21361542 0.80 SMN1; SMN2 (0.43) ALDH1A1LMNATSHRHTR7GAA
SCHEMBL21361498 0.79 LMNA (0.43) ALDH1A1LMNAHTTMAPTTSHR
SCHEMBL21361567 0.79 NPSR1 (0.44) ALDH1A1LMNATSHRMEN1KMT2A

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