SCHEMBL5716640

SCHEMBL5716640

CCSCCCNC(=O)c1c(OS(C)(=O)=O)cccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL3375836 0.93 ALDH1A1 (0.42) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL3376163 0.88 TSHR (0.50) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL3377281 0.85 CA12 (0.43) HCRTR1MEN1KMT2AHIF1AALDH1A1
SCHEMBL3376465 0.84 ALDH1A1 (0.40) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL3375839 0.84 ALDH1A1 (0.45) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL3377448 0.84 MEN1 (0.41) HCRTR1MEN1KMT2AHPGDALDH1A1
SCHEMBL3376179 0.82 DRD2 (0.39) HCRTR1HPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL3373263 0.78 TSHR (0.50) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL3376166 0.78 TSHR (0.54) HCRTR1MEN1KMT2AHIF1AHPGD
SCHEMBL2889720 0.78 MEN1 (0.37) MEN1KMT2AHPGDALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO disclosed