SCHEMBL8495044

SCHEMBL8495044

O=C(O)c1ccc(O)c(NC(=S)Nc2cc(C(=O)O)ccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.59
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ GAA P10253 3/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ CA12 O43570 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ CA4 P22748 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.51
▸ NPC1 O15118 3/20 0.49
▸ ALOX12 P18054 2/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47

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
SCHEMBL81134 0.81 KDM4E (0.60) KDM5AKDM4EMAPTGAACA1
SCHEMBL28477473 0.81 MEN1 (0.60) KDM5AKDM4EMAPTGAACA1
SCHEMBL31236129 0.81 KDM4E (0.60) KDM5AKDM4EMAPTGAACA1
SCHEMBL15778299 0.81 AKT1 (0.72) KDM4EMAPTGAAPOLBL3MBTL1
SCHEMBL2348513 0.80 KDM5A (0.57) KDM5AKDM4EMAPTGAACA1
SCHEMBL28478726 0.80 MEN1 (0.58) KDM5AKDM4EMAPTGAACA1
Hydrochloric Acid SCHEMBL8887014 0.79 KDM5A (0.56) KDM5AKDM4EMAPTGAACA1
SCHEMBL13064965 0.77 TOP1 (0.62) KDM5AKDM4EMAPTGAACA1
SCHEMBL2213755 0.77 KDM5A (0.62) KDM5AKDM4EMAPTGAACA1
SCHEMBL9621823 0.76 KDM5A (0.53) KDM5AKDM4EMAPTGAACA1

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
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 — — US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 — — US disclosed
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