SCHEMBL5511085

SCHEMBL5511085

CCOc1cc2ccccc2n1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 2/20 0.44
NOD1 Q9Y239 2/20 0.44
KDR P35968 10/20 0.43
PDGFRB P09619 7/20 0.42
F10 P00742 2/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 1/20 0.39
OXER1 Q8TDS5 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC9A1 P19634 1/20 0.38

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
SCHEMBL5513258 0.82 PARP10 (0.43) KDRPDGFRBMEN1KMT2A
SCHEMBL28672695 0.77 NOD2 (0.68) NOD2NOD1KDRPDGFRBF10
SCHEMBL8360588 0.74 KDR (0.51) KDRPDGFRBMEN1KMT2ASLC9A1
SCHEMBL31122079 0.74 KDR (0.51) KDRPDGFRBMEN1KMT2ASLC9A1
SCHEMBL4056238 0.73 NOD2 (0.50) NOD2NOD1NR1H2MEN1KMT2A
Benzene SCHEMBL28136154 0.72 KDR (0.50) KDRPDGFRBMEN1KMT2ASLC9A1
Hydrochloric Acid SCHEMBL28136871 0.72 KDR (0.50) KDRPDGFRBMEN1KMT2ASLC9A1
SCHEMBL31315441 0.72 KDR (0.43) KDRPDGFRB
SCHEMBL8679771 0.72 KDR (0.49) KDRPDGFRBSLC9A1
SCHEMBL28615205 0.71 NOD2 (0.51) NOD2NOD1F10NR1H2MEN1

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-1791537-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-06 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO disclosed