SCHEMBL8554711

SCHEMBL8554711

O=C(O)/C(=N\O)C(c1ccc(OCc2ccccn2)cc1)c1ccc(OCc2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.53
ALOX5 P09917 2/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAOB P27338 1/20 0.47
ADAMTS4 O75173 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALOX5AP P20292 1/20 0.42
DHODH Q02127 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL8554727 1.00 PARP10 (0.53) PARP10ALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8559850 0.88 MEN1 (0.42) PARP10ALOX5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8559073 0.83 ACACB (0.41) ALOX5ADAMTS4ALOX5APMAPT
SCHEMBL8559093 0.83 ACACB (0.41) ALOX5ADAMTS4ALOX5APMAPT
SCHEMBL8555948 0.82 KCNH2 (0.43) ALOX5
SCHEMBL8555939 0.82 KCNH2 (0.43) ALOX5
SCHEMBL8557021 0.82 ALOX5 (0.52) ALOX5
SCHEMBL8555246 0.81 GPBAR1 (0.61) ALOX5
SCHEMBL8554925 0.81 GPBAR1 (0.61) ALOX5
SCHEMBL8555687 0.80 GPBAR1 (0.60) ALOX5

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
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US claimed
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed