SCHEMBL9417468

SCHEMBL9417468

ClN(Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
ATM Q13315 1/20 0.39
CA4 P22748 1/20 0.36
ALDH1A1 P00352 6/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KCNA3 P22001 1/20 0.33
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
TLR9 Q9NR96 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32

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
SCHEMBL18570099 0.74 LTA4H (0.43) LTA4HTSHRL3MBTL1TDP1ATM
SCHEMBL3258820 0.73 USP2 (0.34) TDP1ALDH1A1KMT2AMEN1POLB
SCHEMBL3105430 0.72 CA4 (0.38) LTA4HTSHRL3MBTL1TDP1CA4
SCHEMBL7867520 0.70 CA4 (0.42) LTA4HTSHRL3MBTL1TDP1ATM
SCHEMBL11032763 0.70 L3MBTL1 (0.43) LTA4HTSHRL3MBTL1TDP1ATM
SCHEMBL2572742 0.70 LTA4H (0.39) LTA4HTSHRL3MBTL1TDP1ATM
SCHEMBL28455421 0.69 LTA4H (0.50) LTA4HTSHRL3MBTL1TDP1ATM
Hydrochloric Acid SCHEMBL9811749 0.68 CA4 (0.40) LTA4HTSHRL3MBTL1TDP1ATM
SCHEMBL10358899 0.67 ALDH1A1 (0.38) LTA4HTSHRL3MBTL1TDP1ALDH1A1
SCHEMBL9467182 0.67 CA4 (0.44) LTA4HTSHRL3MBTL1TDP1ATM

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
US-5296601-A Reaction of aromatic chloride with carbon monoxide and alcohol NIHON NOHYAKU CO., LTD. (JP) 1994-03-22 US disclosed
EP-0282266-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID AMIDES OR ESTERS NIHON NOHYAKU CO., LTD. (JP) 1992-09-09 EP disclosed
US-5142057-A Reacting an organic chloride with carbon monoxide and amine NIHON NOHYAKU CO., LTD. (JP) 1992-08-25 US disclosed
EP-0282266-A2 Process for producing carboxylic acid amides or esters NIHON NOHYAKU CO., LTD. (JP) 1988-09-14 EP disclosed