SCHEMBL5268091

SCHEMBL5268091

COc1ccc(S(=O)(=O)Nc2c[nH]nc2C(=O)N2CCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
GAA P10253 3/20 0.48
KMT2A Q03164 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5267751 0.89 NPC1 (0.56) LMNAGAAKMT2AHSD17B10L3MBTL1
SCHEMBL5266983 0.86 RXFP1 (0.49) POLBGAAHSD17B10L3MBTL1MAPT
SCHEMBL5274022 0.86 L3MBTL1 (0.46) LMNAPOLBGAAKMT2AHSD17B10
SCHEMBL5271765 0.86 ALDH1A1 (0.48) KMT2AHSD17B10L3MBTL1ALDH1A1MAPT
SCHEMBL5271053 0.86 L3MBTL1 (0.51) LMNAPOLBGAAHSD17B10L3MBTL1
SCHEMBL5265743 0.85 ALDH1A1 (0.53) LMNAPOLBGAAKMT2AL3MBTL1
SCHEMBL5269971 0.84 L3MBTL1 (0.50) LMNAPOLBGAAKMT2AHSD17B10
SCHEMBL5273212 0.83 ALDH1A1 (0.47) LMNAPOLBGAAKMT2AHSD17B10
SCHEMBL5269337 0.82 SLC40A1 (0.49) LMNAPOLBGAAKMT2AALDH1A1
SCHEMBL5269927 0.81 LMNA (0.49) LMNAKEAP1NFE2L2GAAKMT2A

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-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed