SCHEMBL38650960

SCHEMBL38650960

COC(=O)CC1c2ccccc2N(C)S(=O)(=O)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NR1I2 O75469 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
DRD3 P35462 1/20 0.38
GAA P10253 3/20 0.38
EGFR P00533 1/20 0.38
NPY1R P25929 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC10A2 Q12908 1/20 0.34
POLB P06746 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL38650742 0.91 NR1I2 (0.42) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38651056 0.88 ALDH1A1 (0.39) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38650796 0.87 EGFR (0.43) MAPTNR1I2OPRM1OPRD1DRD3
SCHEMBL38651042 0.87 NR1I2 (0.48) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38651026 0.87 NR1I2 (0.38) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38650792 0.87 CYP1A2 (0.46) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38650882 0.86 NR1I2 (0.39) MEN1MAPTKMT2ANR1I2OPRM1
SCHEMBL38650963 0.86 NR1I2 (0.38) MAPTNR1I2OPRM1OPRD1DRD3
SCHEMBL38650987 0.85 KMT2A (0.35) MEN1MAPTKMT2AGAAALDH1A1
SCHEMBL38650826 0.85 ALDH1A1 (0.42) MAPTNR1I2OPRM1OPRD1DRD3

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-122010870-A Ester group substitution dibenzothio of (C) Synthesis method of azepine derivative 新疆大学 2026-05-12 CN disclosed