SCHEMBL30745896

SCHEMBL30745896

NC(=O)c1ccc(SCCc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPRZ1 P23471 4/20 0.43
PTPN1 P18031 2/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
KIF11 P52732 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HAO1 Q9UJM8 1/20 0.39
MAOB P27338 1/20 0.39
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30745869 0.85 EPHX2 (0.46) HDAC1EPHX2NR1H4PTPRZ1PTPN1
SCHEMBL30745888 0.85 EPHX2 (0.46) HDAC1EPHX2NR1H4PTPRZ1PTPN1
SCHEMBL2541283 0.83 KIF11 (0.54) EPHX2NR1H4PTPRZ1PTPN1KIF11
SCHEMBL30745881 0.82 MAOB (0.45) HDAC1EPHX2NR1H4PLA2G2AMAOB
SCHEMBL30745863 0.82 MAOB (0.45) HDAC1EPHX2NR1H4PLA2G2AMAOB
SCHEMBL30885406 0.80 ALDH1A1 (0.63) PTPRZ1PTPN1CA12CA1CA2
SCHEMBL30745904 0.76 PTPRZ1 (0.72) PTPRZ1PTPN1MAOBPARP10
Hydrochloric Acid SCHEMBL30745902 0.75 PTPRZ1 (0.61) HDAC1EPHX2NR1H4PTPRZ1PTPN1
SCHEMBL933965 0.74 PTPRZ1 (0.49) HDAC1EPHX2NR1H4PTPRZ1PTPN1
SCHEMBL30745894 0.74 EPHX2 (0.44) HDAC1EPHX2NR1H4PTPRZ1PTPN1

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