SCHEMBL16571385

SCHEMBL16571385

CNC(=O)c1cc2cc(C#N)cc(-c3ccc(Cl)cc3F)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.47
▸ TRPA1 O75762 2/20 0.38
▸ PTGES O14684 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PYGL P06737 1/20 0.36
▸ PYGM P11217 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ GUSB P08236 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ TMPRSS4 Q9NRS4 1/20 0.34

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
SCHEMBL16571158 0.89 ALOX15 (0.49) ALOX15KMT2ACNR2MEN1GUSB
SCHEMBL16570654 0.89 RIPK1 (0.41) ALOX15KMT2AMEN1RXFP1
SCHEMBL16571203 0.86 GRM2 (0.41) TRPA1PTGESHRH4GUSB
SCHEMBL16571420 0.85 ALOX15 (0.49) ALOX15KMT2ACNR2NUDT1
SCHEMBL16571121 0.84 XDH (0.39) ALOX15NUDT1
SCHEMBL16571406 0.83 PDE4A (0.41) ALOX15NUDT1
SCHEMBL16570969 0.82 LRRK2 (0.40) ALOX15KMT2AMEN1RXFP1NUDT1
SCHEMBL16571417 0.81 XDH (0.38) ALOX15KMT2AMEN1RXFP1
SCHEMBL16570967 0.81 ALOX15 (0.35) ALOX15HRH4KMT2AMEN1RXFP1
SCHEMBL19478398 0.78 XDH (0.39) ALOX15

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
EP-3044207-A1 INDOL-CARBOXAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2016-07-20 — — EP disclosed
WO-2015036412-A1 INDOL-CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-03-19 — — WO disclosed
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