SCHEMBL18669097

SCHEMBL18669097

O=C1Cc2cc(NCc3c(Cl)cccc3Cl)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.51
▸ BCL6 P41182 3/20 0.50
▸ KIF11 P52732 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ PTK2 Q05397 2/20 0.48
▸ GRIA1 P42261 2/20 0.47
▸ CACNG8 Q8WXS5 2/20 0.47
▸ IDH1 O75874 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.45
▸ MAOB P27338 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5639514 0.81 JAK3 (0.60) AHRBCL6KIF11PTK2JAK3
SCHEMBL18669036 0.80 IDH1 (0.48) KIF11IDH1MAOBKDM4EALDH1A1
SCHEMBL1946174 0.77 AHR (0.53) AHRBCL6KIF11PGRMAPT
SCHEMBL27333540 0.77 CRHBP (0.41) AHRIDH1MAPTKDM4EALDH1A1
SCHEMBL13996622 0.77 AHR (0.51) AHRBCL6KIF11GRIA1CACNG8
SCHEMBL18669106 0.75 PARP1 (0.59) IDH1MAPTALDH1A1
SCHEMBL12874455 0.74 KIF11 (0.51) AHRBCL6KIF11SMYD3JAK3
SCHEMBL18168411 0.74 IDH1 (0.83) IDH1
SCHEMBL3132579 0.74 GAA (0.53) AHRPGRGRIA1CACNG8MAPT
SCHEMBL18189570 0.73 GRIA1 (0.73) AHRPGRGRIA1CACNG8GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 — — WO disclosed
WO-2017049409-A1 COMPOSITIONS FOR PROMOTING READTHROUGH OF PREMATURE TERMINATION CODONS, AND METHODS OF USING THE SAME THE CENTRE FOR DRUG RESEARCH AND DEVELOPMENT (CA) 2017-03-30 — — WO disclosed
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