SCHEMBL4235159

SCHEMBL4235159

COc1ccc(C2(C#N)CCc3n[nH]cc3C2)c2ccn(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 9/20 0.34
▸ ACVR1 Q04771 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL4235315 0.81 PDE4A (0.31) —
SCHEMBL4243417 0.76 FABP4 (0.33) HTR6ACVR1MEN1KMT2ABRD4
SCHEMBL4243414 0.75 PSEN1 (0.37) HTR6ACVR1KMT2ABRD4
SCHEMBL4062215 0.71 KDR (0.34) MAPT
SCHEMBL4053970 0.69 KDM4E (0.31) —
SCHEMBL4235902 0.68 HTR6 (0.41) HTR6MEN1KMT2ABRD4
SCHEMBL4233727 0.66 KDR (0.30) —
SCHEMBL4233489 0.65 KDM4E (0.48) HTR6MEN1KMT2ABRD4
SCHEMBL4225953 0.65 HTR6 (0.35) HTR6MEN1KMT2ABRD4
SCHEMBL4234116 0.64 HTR6 (0.45) HTR6MEN1KMT2A

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-2009115874-A2 NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-09-24 — — WO disclosed
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