SCHEMBL1800239

SCHEMBL1800239

CC1(C)CN[C@H](C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ICOSLG O75144 11/20 1.00
▸ ICOS Q9Y6W8 11/20 1.00
▸ CHUK O15111 15/20 0.63
▸ MEN1 O00255 1/20 0.53
▸ IKBKB O14920 1/20 0.53
▸ PIM1 P11309 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PIM3 Q86V86 1/20 0.53
▸ IKBKG Q9Y6K9 1/20 0.53

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
SCHEMBL1796475 1.00 ICOSLG (1.00) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL3992879 0.83 ICOSLG (0.70) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619288 0.82 ICOSLG (0.70) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1803777 0.82 ICOSLG (0.70) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800079 0.79 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL1800072 0.79 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13315655 0.79 ICOSLG (0.65) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13269261 0.79 ICOSLG (0.64) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL12619699 0.79 ICOSLG (0.64) ICOSLGICOSCHUKMEN1IKBKB
SCHEMBL13452572 0.78 CHUK (1.00) 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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