SCHEMBL13273544

SCHEMBL13273544

Cc1cc(=O)[nH]c2cc(NC(=O)CN(CCN(CC(N)=O)CC(=O)O)CC(=O)O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 16/20 0.46
▸ CA2 P00918 16/20 0.46
▸ CA12 O43570 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TERT O14746 3/20 0.45
▸ CA4 P22748 7/20 0.45
▸ LMNA P02545 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL14367687 0.94 TERT (0.48) CA1CA2CA12CA9TERT
SCHEMBL17365333 0.84 CA1 (0.52) CA1CA2CA12CA9CA4
SCHEMBL10035654 0.81 TERT (0.55) TERTLMNA
SCHEMBL10001927 0.81 TERT (0.40) CA1CA2CA12CA9TERT
SCHEMBL10035653 0.80 TERT (0.54) TERTLMNA
SCHEMBL23130692 0.80 TERT (0.43) CA1CA12CA9TERTLMNA
SCHEMBL15161172 0.80 CA1 (0.48) CA1CA2CA12CA9TERT
SCHEMBL23153405 0.78 POLB (0.42) TERTHPGD
SCHEMBL10001931 0.76 TERT (0.51) TERTLMNA
SCHEMBL23130696 0.76 TERT (0.35) TERTLMNACYP2C9HPGD

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
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 — — US disclosed
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