SCHEMBL30515751

SCHEMBL30515751

O=C(O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 1.00
HPGD P15428 2/20 1.00
MAPK1 P28482 1/20 0.67
PFKFB3 Q16875 2/20 0.64
ACLY P53396 2/20 0.62
ALDH1A1 P00352 3/20 0.61
HSP90AA1 P07900 2/20 0.60
HSP90AB1 P08238 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
PYGL P06737 1/20 0.52
MCL1 Q07820 3/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51

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
SCHEMBL9997183 1.00 HSD17B10 (1.00) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL9997155 0.88 HSD17B10 (0.79) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL9997277 0.86 HSD17B10 (0.76) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL15055714 0.86 HSD17B10 (0.76) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL9997275 0.84 HSD17B10 (0.73) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL9996952 0.84 HPGD (0.72) HSD17B10HPGDMAPK1PFKFB3ACLY
SCHEMBL9997160 0.82 HSD17B10 (0.70) HSD17B10HPGDPFKFB3ALDH1A1MEN1
SCHEMBL9997013 0.81 HSD17B10 (0.67) HSD17B10HPGDPFKFB3ACLYALDH1A1
SCHEMBL9997287 0.80 HSD17B10 (0.67) HSD17B10HPGDPFKFB3ACLYALDH1A1
SCHEMBL9997206 0.80 HSD17B10 (0.66) HSD17B10HPGDPFKFB3ACLYALDH1A1

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-4181911-A1 THE ROLE OF PMCIC IN THE TUMOR MICROENVIRONMENT Universitätsklinikum Regensburg (DE) 2023-05-24 EP disclosed