SCHEMBL38650987

SCHEMBL38650987

COC(=O)CC1c2ccc(Br)cc2N(C)S(=O)(=O)c2ccc(C)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 2/20 0.32
STAT3 P40763 1/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
USP2 O75604 1/20 0.32
PTK2 Q05397 1/20 0.32

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
SCHEMBL38650902 0.88 MAPT (0.38) KMT2AMAPT
SCHEMBL38650820 0.88 RXFP1 (0.40) KMT2AMEN1TSHRMAPTTP53
SCHEMBL38650983 0.88 HTT (0.39) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL38651056 0.86 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL38650960 0.85 MEN1 (0.41) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL38650742 0.81 NR1I2 (0.42) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL38650920 0.77 CYP1A2 (0.40) KMT2AMEN1ALDH1A1MAPTTP53
SCHEMBL38650874 0.76 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL38650904 0.76 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHRMAPT
SCHEMBL38650796 0.74 EGFR (0.43) ALDH1A1MAPT

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