SCHEMBL4703176

SCHEMBL4703176

CNC(=O)Cc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OC)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
HPGD P15428 5/20 0.41
HSD17B10 Q99714 1/20 0.40
CRBN Q96SW2 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTR7 P34969 1/20 0.37
GFER P55789 1/20 0.36

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
SCHEMBL4698515 0.92 HPGD (0.44) THRBHPGDHSD17B10CRBNSMN1; SMN2
SCHEMBL4700632 0.92 THRB (0.43) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4703393 0.89 THRB (0.46) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4701502 0.88 CRBN (0.46) THRBHPGDHSD17B10CRBNSMN1; SMN2
SCHEMBL4703169 0.88 THRB (0.46) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4702086 0.88 THRB (0.47) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4700682 0.87 THRB (0.45) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4703871 0.87 THRB (0.44) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4698489 0.85 HPGD (0.43) THRBHPGDHSD17B10SMN1; SMN2KMT2A
SCHEMBL4703167 0.83 THRB (0.48) THRBHPGDHSD17B10SMN1; SMN2KMT2A

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
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed