SCHEMBL10975772

SCHEMBL10975772

COc1ccc(-c2cnc(Nc3ccc(C(N)=O)cc3)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAP4K4 O95819 1/20 0.59
CHEK2 O96017 1/20 0.58
PARP10 Q53GL7 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55
MEN1 O00255 1/20 0.55
KDR P35968 1/20 0.55
KMT2A Q03164 1/20 0.55
MKNK1 Q9BUB5 2/20 0.55
MKNK2 Q9HBH9 2/20 0.55
RORC P51449 2/20 0.53
CSNK2A1 P68400 1/20 0.53
VNN1 O95497 2/20 0.53

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
SCHEMBL27717813 0.89 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL1735277 0.88 CSNK2A1 (0.68) HDAC3HDAC1HDAC2HDAC6MAP4K4
SCHEMBL10971529 0.88 HDAC1 (0.61) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL1735203 0.88 HDAC1 (0.61) HDAC3HDAC1HDAC2HDAC6CA1
SCHEMBL10971409 0.86 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL14499163 0.86 PTK2 (0.62) HDAC3HDAC1HDAC2HDAC6KDR
SCHEMBL1734422 0.85 KCNK9 (0.55) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL13605541 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2HDAC6CSNK2A1
SCHEMBL8997871 0.83 RORC (0.69) MAP4K4PARP10CA1CA2PARP1
SCHEMBL13605518 0.83 HDAC1 (0.58) HDAC3HDAC1HDAC2HDAC6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 EP claimed
EP-0164204-A1 Novel pharmaceutically useful pyrimidines FISONS plc (GB) 1985-12-11 EP disclosed