SCHEMBL14253041

SCHEMBL14253041

COc1ccc(C(=O)Nc2cc(Cl)cc3c2[nH]c2cnccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 12/20 1.00
▸ ICOSLG O75144 10/20 1.00
▸ ICOS Q9Y6W8 10/20 1.00
▸ MEN1 O00255 2/20 0.71
▸ KMT2A Q03164 2/20 0.71
▸ IKBKB O14920 1/20 0.71
▸ PIM1 P11309 1/20 0.71
▸ PIM3 Q86V86 1/20 0.71
▸ IKBKG Q9Y6K9 1/20 0.71
▸ PARP14 Q460N5 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GPR35 Q9HC97 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL13376959 0.89 CHUK (0.89) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253040 0.89 CHUK (1.00) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL13377038 0.88 CHUK (1.00) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253051 0.88 CHUK (0.79) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253078 0.86 CHUK (0.83) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253005 0.86 CHUK (0.83) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253037 0.86 CHUK (1.00) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL13377017 0.85 CHUK (0.77) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253053 0.84 CHUK (0.84) CHUKICOSLGICOSMEN1KMT2A
SCHEMBL14253042 0.84 CHUK (1.00) CHUKICOSLGICOSMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
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