SCHEMBL9499552

SCHEMBL9499552

O=c1c(-c2ccccc2)cc2ccccc2n1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.51
KDM4E B2RXH2 4/20 0.48
MAOB P27338 2/20 0.45
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
LDHA P00338 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
FEN1 P39748 3/20 0.41
ERCC5 P28715 2/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
ADORA2B P29275 1/20 0.40
GLO1 Q04760 1/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL10757723 0.79 DAO (0.59) DAOKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL11766114 0.77 ALDH1A1 (0.51) KDM4EMAOBALDH1A1RAB9AADORA1
SCHEMBL4308750 0.76 L3MBTL1 (0.66) KDM4EALDH1A1L3MBTL1KMT2AHSD17B10
SCHEMBL6382774 0.76 DAO (0.65) DAOKDM4ECASP1CASP7ALDH1A1
SCHEMBL9849536 0.75 DAO (0.61) DAOKDM4EMAOBALDH1A1LDHA
SCHEMBL6172365 0.75 SMN1; SMN2 (0.55) DAOKDM4EMAOBALDH1A1RAB9A
SCHEMBL18523561 0.75 HTR4 (0.43) DAOKDM4EMAOBALDH1A1RAB9A
SCHEMBL7163743 0.74 KDM4E (0.52) DAOKDM4EALDH1A1FEN1KMT2A
SCHEMBL9498048 0.74 KDM4E (0.52) DAOKDM4EFEN1KMT2A
SCHEMBL10677691 0.74 KDM4E (0.52) DAOKDM4ECASP1CASP7ALDH1A1

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
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 EP disclosed