SCHEMBL22084420

SCHEMBL22084420

O=c1[nH]c(=O)n(Cc2ccc(B3OCCCCO3)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ CA1 P00915 4/20 0.39
▸ CA2 P00918 4/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIK5 Q16478 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL22084391 0.98 HPGD (0.39) HPGDCA12CA9CA1CA2
SCHEMBL22084380 0.95 HPGD (0.41) HPGDCA12CA9CA1CA2
SCHEMBL22084393 0.85 HPGD (0.40) HPGDCA12CA9CA1CA2
SCHEMBL22084416 0.81 HPGD (0.38) HPGDCA12CA9CA1CA2
SCHEMBL22084382 0.81 HPGD (0.38) HPGDCA12CA9CA1CA2
SCHEMBL22084414 0.81 LPL (0.43) HPGDLMNA
SCHEMBL22084696 0.81 HPGD (0.45) HPGDCA12CA9CA1CA2
SCHEMBL22084415 0.81 HPGD (0.42) HPGDMEN1KMT2ALMNAMAPT
SCHEMBL22085424 0.76 HPGD (0.49) HPGDCA12CA9CA1CA2
SCHEMBL21724684 0.74 KDM4E (0.48) HPGDCA12CA9CA1CA2

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-2020117938-A1 PRODRUGS OF ANTI-CANCER AND ANTI-AUTOIMMUNE DISEASES THERAPEUTIC AGENTS, AND METHODS OF MAKING AND USE THEREOF UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-06-11 — — WO disclosed
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