SCHEMBL5780592

SCHEMBL5780592

COC(=O)CN1CCN(c2cccc(-n3c(C(C)O)nc4cc(C(=O)O)ccc43)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
GFER P55789 2/20 0.42
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.37
CRBN Q96SW2 1/20 0.37

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 0.92 THRB (0.46) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5780815 0.91 THRB (0.45) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5782715 0.91 HSD17B10 (0.45) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5779144 0.89 HSD17B10 (0.43) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5779546 0.86 HSD17B10 (0.44) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5778716 0.86 KDM4E (0.41) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5780733 0.85 THRB (0.44) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5782478 0.85 HSD17B10 (0.48) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL5779112 0.85 THRB (0.47) THRBHSD17B10KMT2AALDH1A1MEN1
SCHEMBL4703388 0.85 THRB (0.48) THRBHSD17B10KMT2AALDH1A1MEN1

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