SCHEMBL5235461

SCHEMBL5235461

N#Cc1ccc2cc(OC(=O)O)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.42
DHPS P49366 1/20 0.40
CHRNA7 P36544 2/20 0.40
PPARA Q07869 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
NCEH1 Q6PIU2 2/20 0.36
PIN1 Q13526 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
APP P05067 3/20 0.35
G6PD P11413 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
GSK3B P49841 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL5162471 0.84 DRD2 (0.34) DYRK1ACA1CA2
SCHEMBL5232952 0.84 DYRK1A (0.48) DYRK1ADHPSCHRNA7PPARAF2
SCHEMBL1495612 0.78 BCL2L1 (0.54) DYRK1ADHPSCHRNA7PPARAF2
SCHEMBL5238184 0.76 KMT2A (0.41) DYRK1ACHRNA7CA2
SCHEMBL5202024 0.76 RAB9A (0.39) DYRK1ADHPSCHRNA7PPARANCEH1
SCHEMBL5202623 0.76 CA2 (0.47) CHRNA7CA1CA2CLK1
SCHEMBL5230199 0.73 CA2 (0.51) DYRK1ACHRNA7CA2CLK1DYRK1B
SCHEMBL2761209 0.73 BCL2L1 (0.56) DYRK1ACA1CA2APP
SCHEMBL1495712 0.73 HDAC1 (0.52) DYRK1ADHPSCHRNA7PPARAPLAU
SCHEMBL12831126 0.72 CYP2A6 (0.53) DYRK1ADHPSCHRNA7CA1CA2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-1515967-B1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2006-11-02 EP disclosed
EP-1515967-A1 2-HETEROARYL CARBOXAMIDES Bayer HealthCare AG (DE) 2005-03-23 EP disclosed
EP-1461335-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES Bayer HealthCare AG (DE) 2004-09-29 EP disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 WO disclosed
WO-2003055878-A1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-07-10 WO disclosed