SCHEMBL30908161

SCHEMBL30908161

O=[N+]([O-])c1cccc(Br)c1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
EGFR P00533 1/20 0.47
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 6/20 0.43
CTSB P07858 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 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
SCHEMBL30908664 0.82 MEN1 (0.54) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL30111052 0.82 MEN1 (0.54) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL8327255 0.82 MEN1 (0.54) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL30659388 0.80 APEX1 (0.48) MEN1KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL9087640 0.79 TSHR (0.51) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL5376331 0.76 MEN1 (0.65) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL31444015 0.75 CA12 (0.43) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL4767130 0.75 ALDH1A1 (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL31120599 0.75 MEN1 (0.49) MEN1KMT2AEGFRGSTP1GSTM2
SCHEMBL543367 0.74 ALDH1A1 (0.54) MEN1KMT2ACYP1A2CYP3A4CYP2C19

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
WO-2024206347-A1 FUSED THIADIAZINE DIOXIDE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2024-10-03 WO disclosed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed