SCHEMBL26136014

SCHEMBL26136014

Cc1ccc(S(=O)(=O)OC2(CO)CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
PKM P14618 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL30140023 0.78 KMT2A (0.42) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL11332992 0.78 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL18334492 0.77 KMT2A (0.41) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD
SCHEMBL28798646 0.77 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2STAT3ALDH1A1NPSR1
SCHEMBL17107601 0.76 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL2341926 0.75 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2ALDH1A1NPSR1GAA
SCHEMBL8744354 0.75 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL31160960 0.75 LMNA (0.41) KMT2ASMN1; SMN2ALDH1A1GAACYP3A4
SCHEMBL7056971 0.75 SMN1; SMN2 (0.53) KMT2ASMN1; SMN2ALDH1A1HPGDNPSR1
SCHEMBL15286533 0.74 KMT2A (0.45) KMT2ASMN1; SMN2STAT3ALDH1A1HPGD

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-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 WO disclosed