SCHEMBL21623038

SCHEMBL21623038

COc1cc(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)c2Cl)ncc1C(OC)OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 5/20 0.45
▸ PDCD1 Q15116 14/20 0.43
▸ CD274 Q9NZQ7 14/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ AHR P35869 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL30836715 0.85 LIPE (0.50) LIPEPDCD1CD274MEN1AHR
SCHEMBL20293126 0.85 LIPE (0.50) LIPEPDCD1CD274MEN1AHR
SCHEMBL25891782 0.79 LIPE (0.46) LIPEPDCD1CD274
SCHEMBL28793298 0.79 LIPE (0.52) LIPECD274MEN1AHRKMT2A
SCHEMBL21622909 0.77 PDCD1 (0.49) LIPEPDCD1CD274
SCHEMBL20293076 0.76 LIPE (0.52) LIPEMEN1AHRKMT2A
SCHEMBL30836779 0.75 LIPE (0.50) LIPEPDCD1CD274MEN1AHR
SCHEMBL20293697 0.75 LIPE (0.50) LIPEPDCD1CD274MEN1AHR
SCHEMBL30836614 0.75 LIPE (0.50) LIPEPDCD1CD274MEN1AHR
SCHEMBL25314447 0.73 MAP3K5 (0.47) LIPEMEN1KMT2A

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-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
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