SCHEMBL13844973

SCHEMBL13844973

NCc1ccc(C(=O)ON2C(=O)CCC2=O)cc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL18716200 0.88 ALDH1A1 (0.36) CA12CA1CA9MAPK1MGLL
SCHEMBL12756281 0.80 MAPK1 (0.35) CA12CA1CA9MAPK1MGLL
SCHEMBL13447354 0.79 CDK5 (0.33) MGLL
SCHEMBL13845025 0.76 LOXL2 (0.53) CA12CA1CA9KMT2AALDH1A1
SCHEMBL27717830 0.75 CA1 (0.55) CA12CA1CA9MGLLKMT2A
SCHEMBL2818924 0.75 KDM4E (0.47) CA12CA1CA9MAPK1ALDH1A1
SCHEMBL300884 0.74 CA12 (0.42) CA12CA1CA9MAPK1MGLL
SCHEMBL5303474 0.72 ALDH1A1 (0.48) CA12CA1CA9MGLLKMT2A
SCHEMBL13404894 0.72 CA12 (0.42) CA12CA1CA9MAPK1MGLL
SCHEMBL14860981 0.72 MAPK1 (0.48) MAPK1MGLLKMT2AALDH1A1HPGD

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
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 — — EP disclosed
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