SCHEMBL30964136

SCHEMBL30964136

Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)N2CCOCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.77
MEN1 O00255 3/20 0.77
AIMP2 Q13155 1/20 0.77
ALDH1A1 P00352 4/20 0.64
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPK1 P28482 1/20 0.54
F2 P00734 1/20 0.52
PLAU P00749 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL22501273 1.00 KMT2A (0.77) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500499 0.89 KMT2A (0.76) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500267 0.89 KMT2A (0.76) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22501264 0.88 KMT2A (0.74) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500549 0.88 KMT2A (0.98) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500547 0.88 KMT2A (0.98) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22501084 0.88 KMT2A (0.98) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500262 0.87 KMT2A (1.00) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL17086576 0.87 KMT2A (1.00) KMT2AMEN1AIMP2ALDH1A1GAA
SCHEMBL22500261 0.87 KMT2A (1.00) KMT2AMEN1AIMP2ALDH1A1GAA

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
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN claimed
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN disclosed