SCHEMBL21361519

SCHEMBL21361519

COc1cc(F)ccc1N1CCN(S(=O)(=O)N2CCCN(CC3CCCCC3)CCCN(S(=O)(=O)c3ccc(N(C)CC4CCC(CN5CCCN(S(=O)(=O)c6ccc(N(C)C)cc6)C[C@H](C)CN(S(=O)(=O)N6CCc7c(cccc7OC)C6)CCC5)CC4)cc3)C[C@H](C)C2)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR7 P34969 5/20 0.34
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
AKR1C3 P42330 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
HTR1A P08908 2/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL21361616 0.89 ALDH1A1 (0.41) ALDH1A1MEN1GFERKMT2AHTR7
SCHEMBL23102285 0.87 AKR1C3 (0.41) ALDH1A1AKR1C3SMN1; SMN2CYP19A1HRH3
SCHEMBL21361542 0.83 SMN1; SMN2 (0.43) ALDH1A1MEN1GFERKMT2AHTR7
SCHEMBL21361539 0.82 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2CYP19A1POLB
SCHEMBL23102067 0.82 ALDH1A1 (0.46) ALDH1A1GFERKMT2AHTR7HTR2A
SCHEMBL21361466 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTR7HTR2A
SCHEMBL21361409 0.80 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2GAAHTR1A
SCHEMBL21361487 0.80 LMNA (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL21361537 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2CYP19A1POLBGAA
SCHEMBL23102277 0.79 NPSR1 (0.39) ALDH1A1MEN1KMT2AAKR1C3SMN1; 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 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