SCHEMBL5780733

SCHEMBL5780733

COC(C)c1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(CC(=O)OC(C)C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GFER P55789 2/20 0.38
HPGD P15428 3/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR7 P34969 1/20 0.35
TTR P02766 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
SCHEMBL5783857 0.93 THRB (0.46) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5779112 0.91 THRB (0.47) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5777903 0.90 THRB (0.43) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5783430 0.90 THRB (0.46) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5781182 0.89 THRB (0.48) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5780879 0.87 THRB (0.43) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5778632 0.86 THRB (0.46) THRBSMN1; SMN2HSD17B10KMT2AHPGD
SCHEMBL5777977 0.86 THRB (0.50) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5782040 0.86 THRB (0.45) THRBSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL5780592 0.85 THRB (0.46) THRBSMN1; SMN2HSD17B10MEN1KMT2A

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