SCHEMBL7815067

SCHEMBL7815067

COC(=O)Oc1ccc2c(c1CBr)S(=O)(=O)CCS2(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
JAK2 O60674 1/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
STAT3 P40763 1/20 0.30

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
SCHEMBL7815909 0.81 KDM4E (0.36) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL7786756 0.79 PPARG (0.31) HSD17B10KDM4EHPGD
SCHEMBL7670644 0.78 ALDH1A1 (0.36) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL13725344 0.63 HSD17B10 (0.42) HSD17B10KDM4EHPGDALDH1A1
SCHEMBL1841425 0.61 KDM4E (0.42) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL18182129 0.61 HPGD (0.54) HSD17B10KDM4EHPGDALDH1A1HTT
SCHEMBL6950322 0.58 KDM4E (0.46) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL1839261 0.58 NCEH1 (0.46) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL5201253 0.58 CUL4A (0.40) HSD17B10KDM4EHPGDALDH1A1MAPT
SCHEMBL11925422 0.58 KDM4E (0.70) HSD17B10KDM4EHPGDALDH1A1MAPT

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-1135385-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-09-26 EP disclosed
WO-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed