SCHEMBL9326734

SCHEMBL9326734

CCCCN(C1=CC(=O)NC1=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CASP1 P29466 1/20 0.47
BRCA1 P38398 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.38
DHFR P00374 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
ESR1 P03372 1/20 0.36
ELANE P08246 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
RAB9A P51151 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
SCHEMBL9491075 0.81 USP2 (0.34) MEN1KMT2AHSD17B10HTTALDH1A1
SCHEMBL10472943 0.78 KDM4E (0.34) MEN1KMT2AHSD17B10HTTALDH1A1
SCHEMBL2211488 0.76 POLB (0.41) MEN1KMT2AHTTALDH1A1L3MBTL1
SCHEMBL2589900 0.75 MEN1 (0.51) MEN1KMT2ACASP1BRCA1CASP7
SCHEMBL157807 0.75 MEN1 (0.51) MEN1KMT2ACASP1BRCA1CASP7
Bromide SCHEMBL10687133 0.73 MEN1 (0.50) MEN1KMT2ACASP1BRCA1CASP7
SCHEMBL11342834 0.73 CES1 (0.49) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL6274683 0.71 MEN1 (0.41) MEN1KMT2ACASP1BRCA1CASP7
SCHEMBL720769 0.69 NPC1 (0.50) MEN1KMT2ACASP1BRCA1CASP7
Piperazine SCHEMBL28177083 0.69 MEN1 (0.48) MEN1KMT2ACASP1BRCA1CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257433-B1 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID CO (US) 1994-03-23 EP disclosed
US-4757146-A Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-07-12 US disclosed
EP-0257433-A2 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP disclosed