SCHEMBL38660901

SCHEMBL38660901

O=C(O)C1(S)Cc2ccccc2N1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AHR P35869 1/20 0.36
PDK2 Q15119 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC9 Q9UKV0 1/20 0.34
CXCR5 P32302 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MME P08473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL5837737 0.75 BRD4 (0.42) MAPTGAABRD4MEN1KMT2A
SCHEMBL6773172 0.75 BRD4 (0.42) MAPTGAABRD4MEN1KMT2A
SCHEMBL9752039 0.75 MAPT (0.39) MAPTGAABRD4MEN1KMT2A
SCHEMBL29192390 0.72 BRD4 (0.38) MAPTGAABRD4MEN1KMT2A
SCHEMBL1144876 0.71 AHR (0.37) MAPTGAABRD4MEN1KMT2A
SCHEMBL25987161 0.71 BRD4 (0.37) MAPTGAABRD4MEN1KMT2A
SCHEMBL28573315 0.69 CA12 (0.36) MAPTGAAALDH1A1
SCHEMBL21143033 0.68 MAPT (0.38) MAPTGAAMEN1KMT2AAHR
SCHEMBL4592268 0.67 ALOX15 (0.38) MAPTGAABRD4MEN1KMT2A
SCHEMBL3466482 0.66 NPY5R (0.39) MAPTMEN1KMT2AAHRPDK2

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
WO-2026102212-A1 MACROCYCLIC MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2026-05-15 WO disclosed