SCHEMBL10087019

SCHEMBL10087019

Bc1ccc(N)c(C=O)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 1/20 0.31

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
SCHEMBL14428401 0.82 TDP1 (0.35) TDP1MEN1LMNATHRBBLM
SCHEMBL19151354 0.77
SCHEMBL135290 0.76 TDP1 (0.40) TDP1MEN1LMNATHRBBLM
SCHEMBL9404722 0.76 TDP1 (0.48) TDP1MEN1LMNATHRBBLM
SCHEMBL13893904 0.76 TDP1 (0.38) TDP1MEN1LMNATHRBBLM
SCHEMBL28385480 0.74 ALDH1A1 (0.43) TDP1MEN1LMNATHRBBLM
SCHEMBL882904 0.73 ERN1 (0.57) ERN1
SCHEMBL12662683 0.73 ERN1 (0.38) TDP1MEN1LMNATHRBBLM
SCHEMBL3384426 0.73 TDP1 (0.52) TDP1THRBERN1
SCHEMBL4940592 0.73 CA12 (0.41) TDP1ERN1

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-2012087872-A1 QUINOLINES AND AZA-QUINOLINES AS CRTH2 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed