SCHEMBL8730083

SCHEMBL8730083

COc1occc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.41
PARP10 Q53GL7 2/20 0.39
PARP1 P09874 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP4 Q9UKK3 1/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL7070134 0.80 POLB (0.36) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL302524 0.72
SCHEMBL8585126 0.72 MAPK1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL165897 0.70
SCHEMBL15398254 0.70 ALDH1A1 (0.38) PARP1KDM4ENPC1RAB9AALDH1A1
SCHEMBL8531926 0.69 ALDH1A1 (0.38) NNMTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL24555295 0.69 CYP4F2 (0.38) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL186634 0.69
SCHEMBL31281659 0.68
SCHEMBL848821 0.68

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
WO-1998046683-A1 COATING COMPOSITIONS COMPRISING BUSOXINONE JANSSEN PHARMACEUTICA N.V. (BE) 1998-10-22 WO disclosed