SCHEMBL5777910

SCHEMBL5777910

COCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(CC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
HPGD P15428 4/20 0.40
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
PTGER4 P35408 3/20 0.38
GLP1R P43220 1/20 0.36
CRBN Q96SW2 2/20 0.36
HCAR3 P49019 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL5783864 0.92 THRB (0.46) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5779114 0.90 THRB (0.47) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5780735 0.89 THRB (0.43) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5783447 0.88 HPGD (0.46) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL4703168 0.87 THRB (0.48) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5781185 0.87 THRB (0.48) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5780883 0.85 THRB (0.43) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5777980 0.85 THRB (0.49) THRBHPGDHSD17B10KMT2APTGER4
SCHEMBL5778637 0.85 THRB (0.46) THRBHPGDHSD17B10KMT2AGLP1R
SCHEMBL5782047 0.84 THRB (0.45) THRBHPGDHSD17B10KMT2APTGER4

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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed