SCHEMBL23578370

SCHEMBL23578370

CC(=N[S@+]([O-])C(C)(C)C)c1cccc(C(F)(F)C(C)(C)O)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.38
▸ ACHE P22303 3/20 0.36
▸ CES2 O00748 1/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ FURIN P09958 1/20 0.30

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
SCHEMBL28839476 1.00 KMT2A (0.40) KMT2AMEN1GAAACHECES2
SCHEMBL29980806 1.00 KMT2A (0.40) KMT2AMEN1GAAACHECES2
SCHEMBL23578368 1.00 KMT2A (0.40) KMT2AMEN1GAAACHECES2
SCHEMBL24943389 1.00 KMT2A (0.40) KMT2AMEN1GAAACHECES2
SCHEMBL21133185 0.87 KMT2A (0.43) KMT2AMEN1GAAACHECES2
SCHEMBL22321401 0.87 KMT2A (0.52) KMT2AMEN1GAACES2NPSR1
SCHEMBL21132427 0.87 KMT2A (0.52) KMT2AMEN1GAACES2NPSR1
SCHEMBL20792450 0.87 KMT2A (0.52) KMT2AMEN1GAACES2NPSR1
SCHEMBL21133184 0.87 KMT2A (0.43) KMT2AMEN1GAAACHECES2
SCHEMBL29755156 0.87 KMT2A (0.43) KMT2AMEN1GAAACHECES2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 — — CN disclosed
CN-115605476-A Substituted tricyclic compounds 鲁宾有限公司(IN) 2023-01-13 — — CN disclosed
WO-2021130731-A1 SUBSTITUTED TRICYCLIC COMPOUNDS LUPIN LIMITED (IN) 2021-07-01 — — WO disclosed
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