SCHEMBL10845993

SCHEMBL10845993

NC(=O)c1cnnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
MAP2K3 P46734 1/20 0.50
MAP2K6 P52564 1/20 0.50
BTK Q06187 1/20 0.50
MAP3K19 Q56UN5 1/20 0.50
NEK10 Q6ZWH5 1/20 0.50
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CCNA2 P20248 4/20 0.43
CDK2 P24941 4/20 0.43
CCNA1 P78396 4/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
IKBKB O14920 1/20 0.42
ATM Q13315 2/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2008977 1.00 LCK (0.50) LCKMAP2K3MAP2K6BTKMAP3K19
Hydrochloric Acid SCHEMBL10842830 0.98 LCK (0.49) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL30798875 0.83 KDM4E (0.50) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL335334 0.83 KDM4E (0.50) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL8237140 0.81 HCRTR1 (0.45) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL27671863 0.81 KDM4E (0.49) HCRTR1HCRTR2KMT2AKDM4EGPR3
SCHEMBL25500933 0.81 HCRTR1 (0.42) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL30310893 0.81 GPR3 (0.41) LCKMAP2K3MAP2K6BTKMAP3K19
SCHEMBL2008976 0.81 HCRTR1 (0.45) LCKMAP2K3MAP2K6BTKMAP3K19
Potassium Ion SCHEMBL10736971 0.80 HCRTR1 (0.41) LCKMAP2K3MAP2K6BTKMAP3K19

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
US-4564383-A Use of 4-(hydroxyiminomethyl)cinnoline and congeners thereof for controlling the growth of unwanted plants SHELL OIL COMPANY (US) 1986-01-14 US disclosed
US-4564383-A Use of 4-(hydroxyiminomethyl)cinnoline and congeners thereof for controlling the growth of unwanted plants SHELL OIL COMPANY (US) 1986-01-14 US disclosed
US-4564383-A Use of 4-(hydroxyiminomethyl)cinnoline and congeners thereof for controlling the growth of unwanted plants SHELL OIL COMPANY (US) 1986-01-14 US disclosed