SCHEMBL20573256

SCHEMBL20573256

COc1ccc(OC(N)=O)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.52
HDAC8 Q9BY41 4/20 0.49
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PARP1 P09874 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL17797020 0.88 CYP1A1 (0.53) BACE1HDAC8TAS1R3TAS1R1L3MBTL1
SCHEMBL31652642 0.85 HDAC8 (0.48) BACE1HDAC8HTTMEN1KMT2A
SCHEMBL20573396 0.85 PDE4D (0.51) BACE1HDAC8HDAC4HDAC2LMNA
SCHEMBL20573264 0.85 TUBB4A (0.50) BACE1HDAC8HDAC4HDAC2LMNA
SCHEMBL20573163 0.82 CTSA (0.44) BACE1HDAC8HDAC4HDAC2HTT
SCHEMBL20573252 0.82 CTSA (0.43) BACE1HDAC8HDAC4HDAC2L3MBTL1
SCHEMBL4077193 0.81 BACE1 (0.51) BACE1HDAC8HDAC4HDAC2L3MBTL1
SCHEMBL4284793 0.81 PTGDR2 (0.61) BACE1L3MBTL1LMNAMAPK1TDP1
SCHEMBL29572032 0.80 KDM4E (0.64) BACE1HDAC8HDAC4HDAC2L3MBTL1
SCHEMBL835688 0.80 KDM4E (0.64) BACE1HDAC8HDAC4HDAC2L3MBTL1

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