SCHEMBL19234764

SCHEMBL19234764

Cc1c(C(F)(F)F)c2ccc(NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)cc2[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.43
▸ CA1 P00915 14/20 0.43
▸ CA2 P00918 14/20 0.43
▸ CA4 P22748 7/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ TNKS O95271 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP15 Q460N3 1/20 0.40
▸ PARP14 Q460N5 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.40
▸ PARP12 Q9H0J9 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ PARP4 Q9UKK3 1/20 0.40
▸ PARP3 Q9Y6F1 1/20 0.40
▸ TRPM2 O94759 1/20 0.39
▸ KIF11 P52732 1/20 0.39

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
SCHEMBL15161173 0.85 CA1 (0.42) TERTCA1CA2CA4CA12
SCHEMBL14367687 0.80 TERT (0.48) TERTCA1CA2CA4CA12
SCHEMBL17897072 0.80 CA1 (0.36) TERTCA1CA2CA4CA12
SCHEMBL17897073 0.76 KEAP1 (0.35) TERTCA1CA2CA4CA12
SCHEMBL23153398 0.75 TERT (0.37) TERTCA1CA2CA12CA9
SCHEMBL13273544 0.75 CA1 (0.46) TERTCA1CA2CA4CA12
SCHEMBL15161172 0.73 CA1 (0.48) TERTCA1CA2CA4CA12
SCHEMBL17365333 0.72 CA1 (0.52) CA1CA2CA4CA12CA9
SCHEMBL23130691 0.70 AR (0.53) —
SCHEMBL15499792 0.70 CA1 (0.75) CA1CA2CA4CA12CA9

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-9732378-B2 Fluorophore chelated lanthanide luminescent probes with improved quantum efficiency RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-15 — — US disclosed
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