SCHEMBL6590199

SCHEMBL6590199

C#Cc1c(C(=O)O)nc2c([N+](=O)[O-])cccc2c1OCc1ccccc1.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP5 Q96HI0 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
PIN1 Q13526 2/20 0.36
EIF4A1 P60842 1/20 0.36
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MCL1 Q07820 1/20 0.35
POLB P06746 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
Benzene SCHEMBL6595147 0.95 PIN1 (0.39) SENP5SENP2SENP1PIN1CTSV
SCHEMBL6080724 0.86 MAPT (0.38) PIN1CTSVCTSLHTR1AADRA1D
SCHEMBL6593145 0.83 XDH (0.40) MCL1
SCHEMBL6594661 0.81 DUSP3 (0.41) EIF4A1MEN1KMT2AGPR35
SCHEMBL6079959 0.79 PIN1 (0.41) SENP5SENP2SENP1PIN1CTSV
Benzene SCHEMBL6080664 0.79 MAPT (0.39) PIN1CTSVCTSLHTR1AADRA1D
Benzene SCHEMBL6592619 0.77 XDH (0.39)
SCHEMBL6079406 0.75 GPR35 (0.41) EIF4A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL6079921 0.74 MRGPRX4 (0.41) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL28421296 0.74 POLB (0.39) EIF4A1MEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed