SCHEMBL30745912

SCHEMBL30745912

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 5/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAOB P27338 1/20 0.40
HDAC3 O15379 1/20 0.40
NCOR1 O75376 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
PLA2G10 O15496 1/20 0.40

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 0.88 EPHX2 (0.46) RAB9ANPC1GFERMEN1KMT2A
SCHEMBL30745869 0.88 EPHX2 (0.46) RAB9ANPC1GFERMEN1KMT2A
SCHEMBL30745882 0.85 MAOB (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL30745872 0.81 EPHX1 (0.52) MAOBHDAC3NCOR1HDAC1HDAC2
SCHEMBL8144109 0.79 PLA2G10 (0.59) RAB9ANPC1GFERMEN1KMT2A
SCHEMBL15196503 0.79 PLA2G10 (0.59) RAB9ANPC1GFERMEN1KMT2A
Hydrochloric Acid SCHEMBL8144384 0.78 PLA2G10 (0.58) RAB9ANPC1GFERMEN1KMT2A
SCHEMBL28276980 0.74 KMT2A (0.53) RAB9AKMT2AMAPTLMNAHPGD
SCHEMBL30745896 0.74 HDAC1 (0.46) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL2541283 0.71 KIF11 (0.54) KMT2AMAPTLMNATSHRALDH1A1

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