SCHEMBL21361638

SCHEMBL21361638

Cc1cc(F)ccc1N1CCN(S(=O)(=O)N2CCCN(CC3CCCCC3)CCCN(S(=O)(=O)c3ccc(N(C)CC4CCCC(CN5CCCN(S(=O)(=O)c6ccc(N(C)C)cc6)C[C@H](C)CN(S(=O)(=O)N6CCN(c7ccc(F)cc7C)C[C@@H]6C)CCC5)C4)cc3)C[C@H](C)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CYP19A1 P11511 1/20 0.31
OPRK1 P41145 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 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
SCHEMBL21361639 0.92 HSD11B1 (0.41) HSD11B1LMNAGAASMN1; SMN2
SCHEMBL23102282 0.92 HSD11B1 (0.41) HSD11B1LMNAGAASMN1; SMN2
SCHEMBL21361487 0.89 LMNA (0.43) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL21361409 0.82 SMN1; SMN2 (0.45) HSD11B1LMNAGAASMN1; SMN2OPRK1
SCHEMBL23102160 0.81 CYP3A4 (0.36) LMNAGAASMN1; SMN2ALDH1A1CYP19A1
SCHEMBL21361616 0.81 ALDH1A1 (0.41) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL21361498 0.80 LMNA (0.43) HSD11B1LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL21361542 0.79 SMN1; SMN2 (0.43) LMNAGAASMN1; SMN2ALDH1A1CYP19A1
SCHEMBL21361503 0.79 ALDH1A1 (0.45) HSD11B1LMNAALDH1A1MAPTCYP19A1
SCHEMBL21361500 0.78 HTR1A (0.45) LMNAGAASMN1; SMN2ALDH1A1MAPT

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