SCHEMBL5779112

SCHEMBL5779112

COC(C)c1nc2cc(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
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
HTT P42858 2/20 0.38
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TTR P02766 1/20 0.37
PTGER4 P35408 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
SCHEMBL5783430 0.93 THRB (0.46) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5783857 0.93 THRB (0.46) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5781182 0.92 THRB (0.48) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5780733 0.91 THRB (0.44) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5777903 0.90 THRB (0.43) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5780879 0.90 THRB (0.43) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5782715 0.90 HSD17B10 (0.45) THRBHSD17B10MEN1KMT2AGFER
SCHEMBL5778632 0.90 THRB (0.46) THRBHSD17B10KMT2ASMN1; SMN2HPGD
SCHEMBL5777977 0.89 THRB (0.50) THRBHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5782040 0.89 THRB (0.45) THRBHSD17B10MEN1KMT2AGFER

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