SCHEMBL30745882

SCHEMBL30745882

NC(=O)c1ccc(CSc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.57
IDO1 P14902 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SRD5A2 P31213 1/20 0.44
PPARA Q07869 3/20 0.44
PPARD Q03181 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL30745912 0.85 RAB9A (0.42) MAOBMEN1KMT2AHPGDLMNA
SCHEMBL30745888 0.85 EPHX2 (0.46) MAOBMEN1KMT2AHPGDLMNA
SCHEMBL30745869 0.85 EPHX2 (0.46) MAOBMEN1KMT2AHPGDLMNA
SCHEMBL30745872 0.81 EPHX1 (0.52) MAOBCA12CA1CA2CA9
SCHEMBL22721356 0.80 MAOB (0.67) MAOBIDO1CES2CES1SRD5A2
SCHEMBL6129049 0.80 MAOB (0.54) MAOBKMT2AHPGDLMNACES2
SCHEMBL171651 0.80 CES2 (0.67) MAOBKMT2ACES2CES1SRD5A2
SCHEMBL5377048 0.79 ALDH1A1 (0.61) MAOBIDO1PTGDR2MEN1KMT2A
SCHEMBL5002562 0.79 KIF11 (0.52) IDO1PTGDR2MAPTPPARAPPARD
SCHEMBL15196503 0.79 PLA2G10 (0.59) MAOBMEN1KMT2AHPGDLMNA

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