SCHEMBL30864273

SCHEMBL30864273

CN1c2cc(C(=O)O)ccc2CS1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MYC P01106 4/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
PTPN7 P35236 1/20 0.38
SRD5A2 P31213 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
ENPP2 Q13822 1/20 0.37
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL16621298 0.87 ALDH1A1 (0.42) LMNAALDH1A1MYCGAAHSD17B10
SCHEMBL31571141 0.84 ALDH1A1 (0.48) LMNAALDH1A1GAAHSD17B10ALOX15
SCHEMBL30864276 0.84 ALDH1A1 (0.48) LMNAALDH1A1GAAHSD17B10ALOX15
SCHEMBL6306963 0.80 LMNA (0.43) LMNAALDH1A1MYCGAAHPGD
SCHEMBL21932471 0.78 LMNA (0.40) LMNAALDH1A1MYCGAAHSD17B10
SCHEMBL16412922 0.74 KMT2A (0.44) SRD5A2HPGDHCAR3
SCHEMBL12193492 0.73 ALDH1A1 (0.49) LMNAALDH1A1MYCGAAHSD17B10
SCHEMBL16419121 0.72 ALDH1A1 (0.38) ALDH1A1HSD17B10ALOX15KDM4EHPGD
SCHEMBL16412890 0.71 SMN1; SMN2 (0.45) ALDH1A1GAAHPGD
SCHEMBL3313453 0.70 ALDH1A1 (0.53) ALDH1A1MYCSRD5A2KDM4ECA12

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-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed