SCHEMBL12653368

SCHEMBL12653368

CCN(Cc1ccccc1)C(=O)CN1CC(C)(C)OC[C@H]1C(=O)Nc1cc(I)cc2c1[nH]c1cnccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 10/20 0.45
▸ ICOS Q9Y6W8 10/20 0.45
▸ CHUK O15111 9/20 0.38
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ IKBKG Q9Y6K9 1/20 0.34
▸ TSPO P30536 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 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
SCHEMBL12619515 0.92 ICOSLG (0.55) ICOSLGICOSCHUKFNTAFNTB
SCHEMBL12619802 0.88 ICOSLG (0.57) ICOSLGICOSCHUKFNTAFNTB
SCHEMBL12619440 0.85 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1801702 0.85 ICOSLG (0.61) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13349318 0.84 ICOSLG (0.53) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619716 0.82 ICOSLG (0.57) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653329 0.81 ICOSLG (0.48) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12653191 0.81 ICOSLG (0.35) ICOSLGICOS
SCHEMBL12653424 0.80 ICOSLG (0.49) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619478 0.80 ICOSLG (0.60) ICOSLGICOSCHUKMEN1IKBKB

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-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
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