SCHEMBL5780735

SCHEMBL5780735

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.39
HPGD P15428 5/20 0.39
KMT2A Q03164 2/20 0.39
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
PTGER4 P35408 1/20 0.37
HCAR3 P49019 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
GLP1R P43220 1/20 0.36
CRBN Q96SW2 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
SCHEMBL5783864 0.92 THRB (0.46) THRBHSD17B10HPGDKMT2AHTR7
SCHEMBL5779114 0.90 THRB (0.47) THRBHSD17B10HPGDKMT2AMEN1
SCHEMBL5777910 0.89 THRB (0.43) THRBHSD17B10HPGDKMT2AMEN1
SCHEMBL5783447 0.88 HPGD (0.46) THRBHSD17B10HPGDKMT2AMEN1
SCHEMBL5781185 0.87 THRB (0.48) THRBHSD17B10HPGDKMT2AMEN1
SCHEMBL4703168 0.87 THRB (0.48) THRBHSD17B10HPGDKMT2AHTR7
SCHEMBL5780883 0.85 THRB (0.43) THRBHSD17B10HPGDKMT2AHTR7
SCHEMBL5777980 0.85 THRB (0.49) THRBHSD17B10HPGDKMT2AMEN1
SCHEMBL5780733 0.85 THRB (0.44) THRBSMN1; SMN2HSD17B10HPGDKMT2A
SCHEMBL4703169 0.85 THRB (0.46) THRBSMN1; SMN2HSD17B10HPGDKMT2A

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