SCHEMBL29201443

SCHEMBL29201443

CS(=O)(=O)Oc1cncnc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
NFE2L2 Q16236 1/20 0.32
CA2 P00918 3/20 0.32
CA12 O43570 2/20 0.32
GAA P10253 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CA5A P35218 1/20 0.31
GRM5 P41594 1/20 0.30

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
SCHEMBL3242246 0.74 LMNA (0.47) ALDH1A1HTTKDM4EMAPTCA2
SCHEMBL28226295 0.73
SCHEMBL1605236 0.73 EPAS1 (0.40)
SCHEMBL6942049 0.71 HTT (0.49) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL575589 0.71 CA2 (0.52) HPGDALDH1A1MMP1MMP2MMP7
SCHEMBL927493 0.71 ALDH1A1 (0.45) HPGDALDH1A1MMP1MMP2MMP7
SCHEMBL27616319 0.70 ALPL (0.39) HPGDALDH1A1HTTMMP2MMP7
SCHEMBL17426927 0.68 KCNH2 (0.39) HPGDALDH1A1MMP1MMP2MMP7
SCHEMBL12656068 0.67 ENPP2 (0.39) HCAR2
SCHEMBL3250839 0.67 KDM4E (0.34) ALDH1A1MMP9KDM4ECA2

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-117729921-A Compounds and methods as PD1/PD-L1 inhibitors 朱比兰特普罗德尔有限公司 2024-03-19 CN disclosed
CN-117295717-A LPA receptor antagonists and uses thereof 吉利德科学公司 2023-12-26 CN disclosed