SCHEMBL29978950

SCHEMBL29978950

O=S(=O)(Nc1ccc2ccccc2n1)c1cccc(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
PKM P14618 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD11B1 P28845 2/20 0.53
PGR P06401 1/20 0.48
BRD4 O60885 1/20 0.47
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN5 P54829 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SORT1 Q99523 1/20 0.44
WDR5 P61964 1/20 0.44
HSD17B2 P37059 1/20 0.44

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
SCHEMBL29085871 1.00 KDM4E (0.60) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL6454935 0.84 KDM4E (0.74) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL27493659 0.84 KDM4E (0.77) KDM4EPKMHSD11B1ALDH1A1HPGD
SCHEMBL22485019 0.82 KDM4E (0.55) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL20047235 0.79 PGR (0.58) KDM4EPKMMEN1KMT2APGR
SCHEMBL28551236 0.77 HSD11B1 (0.53) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL3485583 0.75 KDM4E (1.00) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL28007734 0.75 KDM4E (0.74) KDM4EPKMMEN1KMT2AHSD11B1
SCHEMBL1403074 0.72 PGR (0.75) PKMMEN1KMT2APGRBRD4
SCHEMBL30565215 0.72 PGR (0.75) PKMMEN1KMT2APGRBRD4

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
CN-115160222-B Hydroxamic acid compound containing quinoline or isoquinoline and preparation and application thereof 沈阳药科大学 2023-10-13 CN disclosed
CN-115160222-A Hydroxamic acid compound containing quinoline or isoquinoline and preparation and application thereof 沈阳药科大学 2022-10-11 CN disclosed