SCHEMBL4961173

SCHEMBL4961173

O=C(O)c1ccccc1C=Cc1ccc2ccc(Cl)cc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ CYSLTR2 Q9NS75 7/20 0.47
▸ CYSLTR1 Q9Y271 7/20 0.47
▸ ALDH1A1 P00352 2/20 0.46

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
SCHEMBL4860430 0.87 MEN1 (0.48) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL8784014 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL8784018 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL8784009 0.82 CYSLTR1 (0.49) CYSLTR2CYSLTR1
SCHEMBL5810773 0.82 CYSLTR1 (0.44) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL8334320 0.81 MEN1 (0.51) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL4808042 0.79 MEN1 (0.51) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL29517086 0.77 MEN1 (0.48) MEN1KMT2ARAB9AKDM4ENPSR1
SCHEMBL6750524 0.77 KDM4E (0.67) MEN1KMT2ARAB9AKDM4ENPC1
SCHEMBL5810763 0.76 MEN1 (0.46) MEN1KMT2ARAB9AKDM4ENPSR1

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
WO-2008035379-A2 PROCESS FOR AND INTERMEDIATES OF LEUKOTRIENE ANTAGONISTS APTUIT LAURUS PRIVATE LIMITED (IN) 2008-03-27 — — WO claimed
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