SCHEMBL29201426

SCHEMBL29201426

CCS(=O)(=O)Oc1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP14 P50281 2/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ CA2 P00918 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ALPI P09923 2/20 0.33
▸ ALPL P05186 1/20 0.33
▸ YAP1 P46937 1/20 0.32
▸ TEAD4 Q15561 1/20 0.32
▸ TEAD2 Q15562 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.30
▸ APLNR P35414 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
SCHEMBL27616319 0.83 ALPL (0.39) MMP2MMP9MMP14MMP7CA2
SCHEMBL29201443 0.77 HPGD (0.36) MMP2MMP9MMP14MMP7CA2
SCHEMBL27712665 0.76 CHRNB2 (0.46) KMT2A
SCHEMBL28745298 0.75 ALPI (0.40) MMP2MMP9MMP14MMP7CA2
SCHEMBL28453341 0.75 EPAS1 (0.38) MMP2MMP9MMP14MMP7CA2
SCHEMBL576200 0.74 MMP2 (0.55) MMP2MMP9MMP14MMP7CA2
SCHEMBL28745391 0.72 ALPI (0.42) ALPI
SCHEMBL22468700 0.72 MMP2 (0.33) MMP2MMP9MMP14MMP7CA2
SCHEMBL28825688 0.71 SLC22A12 (0.36) CA2CA1CA9
SCHEMBL20508397 0.71 MMP2 (0.33) MMP2MMP9MMP14MMP7CA2

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
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