SCHEMBL8942484

SCHEMBL8942484

NC(=O)NCCN(O)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MCHR1 Q99705 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP2 P08253 1/20 0.45
CA9 Q16790 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
MMP1 P03956 2/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
SRD5A2 P31213 2/20 0.42

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
SCHEMBL8942623 0.85 HPGD (0.46) ALOX5SMN1; SMN2ERCC5FEN1HPGD
SCHEMBL8942653 0.83 CA1 (0.47) PARP10CA1CA2HPGDKMT2A
SCHEMBL8942712 0.82 PARP14 (0.45) PARP10ERCC5FEN1MMP1MEN1
SCHEMBL8942429 0.82 PARP10 (0.45) PARP10HPGDMEN1KMT2AALDH1A1
SCHEMBL8942399 0.82 CTNNB1 (0.52) SMN1; SMN2HPGDMEN1KMT2AATM
SCHEMBL8942657 0.82 ALOX5 (0.56) PARP10ALOX5SMN1; SMN2NPC1ALDH1A1
SCHEMBL8783140 0.81 CA12 (0.58) PARP10ALOX5SMN1; SMN2MCHR1CA12
SCHEMBL8942402 0.80 EPOR (0.46) PARP10ALOX5ERCC5FEN1MEN1
SCHEMBL8942307 0.80 KLKB1 (0.43) ALOX5HPGDNPC1ALDH1A1RAB9A
SCHEMBL8942679 0.79 MAPT (0.47) PARP10ALOX5SMN1; SMN2HPGDMEN1

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