SCHEMBL20573163

SCHEMBL20573163

COc1ccc(OC(N)=O)c(-c2cc(F)cc(F)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.44
BACE1 P56817 1/20 0.43
DYRK1A Q13627 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
SLC9A1 P19634 1/20 0.40
PARP1 P09874 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ORAI1 Q96D31 2/20 0.39
STIM1 Q13586 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 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
SCHEMBL20573264 0.88 TUBB4A (0.50) BACE1HDAC4HDAC2HDAC8SLC9A1
SCHEMBL17797023 0.83 ERN1 (0.40) CTSASLC9A1ERN1
SCHEMBL20573252 0.83 CTSA (0.43) CTSABACE1DYRK1AADORA3HDAC4
SCHEMBL20573157 0.83 ERN1 (0.45) BACE1SLC9A1ALDH1A1MAPTPDE4A
SCHEMBL20573256 0.82 BACE1 (0.52) BACE1HDAC4HDAC2HDAC8PARP1
SCHEMBL17796939 0.80 TAS1R3 (0.46) BACE1DYRK1AHDAC4HDAC2HDAC8
SCHEMBL20573262 0.78 CTSA (0.42) CTSABACE1SLC9A1ERN1
SCHEMBL17796956 0.77 PTGER1 (0.43) CTSASLC9A1
SCHEMBL17797013 0.77 KIF11 (0.48) BACE1ALDH1A1HPGD
SCHEMBL20573396 0.77 PDE4D (0.51) BACE1HDAC4HDAC2HDAC8PARP1

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-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed