SCHEMBL30745869

SCHEMBL30745869

NC(=O)c1ccc(SCc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PTPRZ1 P23471 3/20 0.46
PTPN1 P18031 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 2/20 0.43
KIF11 P52732 1/20 0.43
GFER P55789 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL30745888 1.00 EPHX2 (0.46) EPHX2NR1H4PTPRZ1PTPN1MEN1
SCHEMBL30745912 0.88 RAB9A (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30745896 0.85 HDAC1 (0.46) EPHX2NR1H4PTPRZ1PTPN1MEN1
SCHEMBL2541283 0.85 KIF11 (0.54) EPHX2NR1H4PTPRZ1PTPN1KMT2A
SCHEMBL30745882 0.85 MAOB (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30745872 0.81 EPHX1 (0.52) EPHX2NR1H4MAOBHDAC3NCOR1
SCHEMBL27680079 0.79 ALDH1A1 (0.68) EPHX2NR1H4PTPRZ1PTPN1MEN1
SCHEMBL15196503 0.79 PLA2G10 (0.59) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL8144109 0.79 PLA2G10 (0.59) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL30745904 0.78 PTPRZ1 (0.72) PTPRZ1PTPN1MAOB

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
CN-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 CN disclosed