SCHEMBL27366954

SCHEMBL27366954

CCOC(=O)C1CCc2cc(S(=O)(=S)N(C)C)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 4/20 0.41
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 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
SCHEMBL27367301 0.84 HTT (0.45) KMT2ASMN1; SMN2HTTALDH1A1APOBEC3A
SCHEMBL27367305 0.83 NPC1 (0.53) KMT2ASMN1; SMN2HTTALDH1A1LMNA
SCHEMBL7289390 0.77 DRD2 (0.51) KMT2ASMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL630214 0.77 DRD2 (0.51) KMT2ASMN1; SMN2ALDH1A1GAARAB9A
SCHEMBL629772 0.77 OPRK1 (0.48) KMT2AALDH1A1LMNAMEN1
SCHEMBL27367050 0.77 DRD2 (0.43) KMT2AHTTALDH1A1
SCHEMBL27366880 0.76 KDM4E (0.37) KMT2AHTTALDH1A1GAAMEN1
SCHEMBL10529754 0.76 MAPK1 (0.46) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL30437653 0.76 MAPK1 (0.46) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL21383104 0.76 SHMT2 (0.46) KMT2AALDH1A1GAALMNAMEN1

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-2024049929-A2 PANNEXIN-1 MODULATORS AND METHODS OF TREATING DISORDERS IN WHICH PANNEXIN-1 IS IMPLICATED PANNEX THERAPEUTICS INC. (US) 2024-03-07 WO disclosed