SCHEMBL13681900

SCHEMBL13681900

O=CCc1cc(-c2ccccc2)ccc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.45
PTPN2 P17706 2/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
IP6K1 Q92551 1/20 0.38
ERN1 O75460 3/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
BACE1 P56817 2/20 0.36

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
SCHEMBL6273154 0.84 MAPT (0.46) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL6273151 0.82 PTPN1 (0.42) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL13037456 0.82 PTPN1 (0.42) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL13037433 0.79 TAAR1 (0.50) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL6124205 0.79 KDM4E (0.43) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL13037451 0.79 CYP1A2 (0.41) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL27489870 0.79 ERCC5 (0.43) PTPN1PTPN2MEN1KMT2ADCLRE1A
SCHEMBL9812979 0.79 GABRA1 (0.55) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12084945 0.77 MEN1 (0.52) PTPN1PTPN2MEN1KMT2AKDM4E
SCHEMBL5306483 0.75 ALOX5 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT

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-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed