SCHEMBL8273554

SCHEMBL8273554

Nc1cc(F)ccc1-c1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ADAM17 P78536 9/20 0.44
▸ NAMPT P43490 4/20 0.41
▸ BACE1 P56817 2/20 0.39
▸ DPP9 Q86TI2 1/20 0.38

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
SCHEMBL8273559 0.90 MEN1 (0.47) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8215165 0.89 MEN1 (0.45) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8212488 0.89 KMT2A (0.45) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8273275 0.88 ADAM17 (0.48) ADAM17NAMPTDPP9
SCHEMBL8273551 0.87 MEN1 (0.46) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8273552 0.87 ADAM17 (0.43) ADAM17
SCHEMBL8220550 0.87 MEN1 (0.56) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8212492 0.86 KCNH2 (0.45) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8215172 0.86 ADAM17 (0.51) MEN1NPC1KMT2AADAM17NAMPT
SCHEMBL8418347 0.85 KMT2A (0.59) MEN1NPC1KMT2AADAM17NAMPT

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-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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