SCHEMBL23051369

SCHEMBL23051369

COC(=O)c1cc(NC(=O)CN(C)C)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ KDM4C Q9H3R0 1/20 0.55
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51
▸ EGFR P00533 3/20 0.51
▸ NOX4 Q9NPH5 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ EPHX2 P34913 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MAOB P27338 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTPN11 Q06124 1/20 0.46

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
SCHEMBL1822139 0.82 KMT2A (0.59) KMT2AKDM4CCA12CA1CA2
SCHEMBL3363601 0.79 SMN1; SMN2 (0.76) KMT2AKDM4CCA12CA1CA2
SCHEMBL23051373 0.78 MAPT (0.45) KMT2AMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7137750 0.77 MEN1 (0.72) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11892329 0.77 EGFR (0.56) KMT2AKDM4CCA12CA1CA2
SCHEMBL5943429 0.77 KMT2A (0.56) KMT2AKDM4CCA12CA1CA2
SCHEMBL11892327 0.77 HDAC3 (0.66) KMT2AEGFR
SCHEMBL11929757 0.77 NLRP3 (0.58) KMT2AKDM4CEGFRMEN1NPC1
SCHEMBL11195217 0.77 KMT2A (0.56) KMT2AKDM4CCA1CA2EGFR
SCHEMBL23796819 0.76 SMN1; SMN2 (0.58) KMT2AKDM4CCA12CA1CA2

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-2021036793-A1 PYROPTOSIS-INDUCED IMMUNOTHERAPY NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-04 — — WO disclosed
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