SCHEMBL20323960

SCHEMBL20323960

COC(OC)c1ccc(C(=O)Nc2cccc(NOC(C)(C)C(C)(C)O)c2F)nc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LIPE Q05469 1/20 0.34
▸ P4HTM Q9NXG6 2/20 0.33
▸ BACE1 P56817 3/20 0.33
▸ HDAC3 O15379 3/20 0.32
▸ HDAC1 Q13547 3/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ NCOR2 Q9Y618 2/20 0.32
▸ HDAC8 Q9BY41 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
SCHEMBL20293076 0.73 LIPE (0.52) MEN1AHRKMT2ANPC1SMN1; SMN2
SCHEMBL20293708 0.72 MEN1 (0.43) MEN1AHRKMT2APDCD1CD274
SCHEMBL30836800 0.72 MEN1 (0.43) MEN1AHRKMT2APDCD1CD274
SCHEMBL30740164 0.72 MEN1 (0.43) MEN1AHRKMT2APDCD1CD274
SCHEMBL20293719 0.72 PDCD1 (0.40) MEN1AHRKMT2APDCD1CD274
SCHEMBL20293687 0.70 PDCD1 (0.54) PDCD1CD274
SCHEMBL29779288 0.70 PDCD1 (0.54) PDCD1CD274
SCHEMBL27080495 0.68 PDCD1 (0.42) MEN1AHRKMT2APDCD1CD274
SCHEMBL31108230 0.67 PDCD1 (0.60) PDCD1CD274
SCHEMBL31108293 0.67 PDCD1 (0.52) PDCD1CD274

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-2018119286-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 — — WO disclosed
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