SCHEMBL5779114

SCHEMBL5779114

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
HPGD P15428 4/20 0.42
PTGER4 P35408 1/20 0.40
HCAR3 P49019 1/20 0.39
CRBN Q96SW2 1/20 0.38
GLP1R P43220 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5783864 0.93 THRB (0.46) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5783447 0.93 HPGD (0.46) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5781185 0.92 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL4703168 0.92 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5777910 0.90 THRB (0.43) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5780883 0.90 THRB (0.43) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5780735 0.90 THRB (0.43) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5777980 0.90 THRB (0.49) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5778637 0.90 THRB (0.46) THRBHSD17B10KMT2AHPGDCRBN
SCHEMBL5782722 0.89 HPGD (0.44) THRBHSD17B10KMT2AHPGDCRBN

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