SCHEMBL23905562

SCHEMBL23905562

Cc1cc2cc(C(=O)O)cc(O)c2nn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CA3 P07451 1/20 0.44
SELL P14151 1/20 0.44
HPGD P15428 1/20 0.44
SELP P16109 1/20 0.44
FUT4 P22083 1/20 0.44
DPP4 P27487 1/20 0.44

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
SCHEMBL23905582 0.82 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL23904745 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL23195914 0.78 KDM4E (0.51) CA12CA1CA2CA7CA9
SCHEMBL16533303 0.76 METAP2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL30007379 0.75 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL23930093 0.75 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL23930195 0.74 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL30007888 0.74 CA12 (0.35) CA12CA1CA2CA7CA9
SCHEMBL23958617 0.74 EGLN1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL30006713 0.74 EGLN1 (0.35) CA12CA1CA2CA7CA9

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed