SCHEMBL9809093

SCHEMBL9809093

CCn1c(C)c(SSc2c(C)n(CC)n(-c3ccc(Cl)c(Cl)c3)c2=O)c(=O)n1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
BCL2A1 Q16548 2/20 0.37
NOTUM Q6P988 2/20 0.37
GFER P55789 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 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
SCHEMBL9809101 0.89 KMT2A (0.40) KMT2AGAAL3MBTL1ALDH1A1MEN1
SCHEMBL9809085 0.85 L3MBTL1 (0.38) KMT2AGAAL3MBTL1ALDH1A1MEN1
SCHEMBL9809118 0.79 POLB (0.42) KMT2AGAAALDH1A1MEN1
SCHEMBL9809071 0.71 KDM4E (0.41) KMT2AGAAL3MBTL1ALDH1A1MEN1
SCHEMBL4326087 0.68 ELANE (0.40) KMT2AGAAALDH1A1MEN1HTT
SCHEMBL9809121 0.68 POLB (0.40) KMT2AGAAALDH1A1MEN1
SCHEMBL9809067 0.65 CYP19A1 (0.42) KMT2AGAAL3MBTL1ALDH1A1MEN1
SCHEMBL9809061 0.64 MGLL (0.37) KMT2AL3MBTL1ALDH1A1HTTMAPT
SCHEMBL11455608 0.61 BCL2A1 (0.60) KMT2AALDH1A1MEN1MAPTBCL2A1
SCHEMBL3529330 0.60 ALDH1A1 (0.38) KMT2AGAAL3MBTL1ALDH1A1MEN1

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
US-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed