SCHEMBL8942429

SCHEMBL8942429

COc1ccc(Oc2cccc(C(=O)N(O)CCNC(N)=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.45
PARP14 Q460N5 2/20 0.45
TNKS O95271 1/20 0.45
PARP15 Q460N3 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
PARP1 P09874 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
PGR P06401 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LPAR1 Q92633 1/20 0.42
AR P10275 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8942753 0.92 PARP1 (0.52) PARP1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL8942712 0.89 PARP14 (0.45) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL8942679 0.88 MAPT (0.47) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL8942661 0.85 KMO (0.53) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL8942653 0.84 CA1 (0.47) PARP10PARP2PARP1MTNR1AMTNR1B
SCHEMBL8942408 0.84 TNKS (0.39) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL8782791 0.84 GAA (0.51) ALDH1A1PGRMEN1KMT2AAR
SCHEMBL8942402 0.83 EPOR (0.46) PARP10PARP14TNKSPARP15TNKS2
SCHEMBL8942585 0.82 MEN1 (0.42) PARP10PARP1ALDH1A1MEN1KMT2A
SCHEMBL8942507 0.82 KDM4E (0.43) ALDH1A1

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
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed