SCHEMBL22453675

SCHEMBL22453675

CC1CC2CC(C1)CC(C)(c1ccc(N[S+]([O-])c3ccc(NC=O)cc3)cc1)C2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32

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
SCHEMBL23969872 0.87 NPC1 (0.39) NPC1
SCHEMBL22452968 0.83 NPC1 (0.52) NPC1
SCHEMBL23969868 0.71 LMNA (0.41) NPC1
SCHEMBL10012654 0.68 NPC1 (0.57) NPC1
SCHEMBL25720525 0.65 MEN1 (0.39) NPC1
SCHEMBL22815627 0.65 MAPT (0.40) NPC1
SCHEMBL12882560 0.64 LMNA (0.47)
SCHEMBL26017002 0.62 MEN1 (0.36) NPC1
SCHEMBL22453737 0.59 EPHX2 (0.45) NPC1
SCHEMBL11457438 0.59 EPHX2 (0.38)

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-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 WO disclosed