SCHEMBL9618328

SCHEMBL9618328

N#Cc1c(O)c2c(c(O)c1C#N)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MAOA P21397 3/20 0.53
DAPK1 P53355 3/20 0.53
HPGD P15428 3/20 0.53
CYP3A4 P08684 2/20 0.53
ALOX15 P16050 2/20 0.53
ALOX12 P18054 2/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 2/20 0.53
CYP1B1 Q16678 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TTR P02766 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP1A1 P04798 1/20 0.53
HSPD1 P10809 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL295307 0.81 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL899150 0.80 MEN1 (0.68) MEN1KMT2AMAPTALDH1A1KDM4E
Methane SCHEMBL4141657 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
Methane SCHEMBL28696439 0.79 ALDH1A1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8581315 0.76 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL30085023 0.76 ADORA2A (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12114202 0.76 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL55010 0.76 ALDH1A1 (0.45) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL1995922 0.76 ADORA2A (0.52) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11316898 0.74 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1KDM4E

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
JP-4327584-A None JP disclosed
JP-H04327584-A PRODUCTION OF ANTHRAQUINONEDICARBOXYLIC ACID ANHYDRIDE MITSUI TOATSU CHEM INC 1992-11-17 JP disclosed