SCHEMBL21973781

SCHEMBL21973781

CNc1cc(-c2cccc(C#N)c2Cl)ccc1NC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ PABPC1 P11940 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AR P10275 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ PRKCQ Q04759 2/20 0.31
▸ HSD17B3 P37058 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL21973801 0.80 PABPC1 (0.34) DHODHALDH1A1MAPK1PABPC1
SCHEMBL21973794 0.79 DHODH (0.37) DHODHPABPC1AR
SCHEMBL21973779 0.79 TSHR (0.36) ALDH1A1HSD17B10CYP1A2CYP3A4MAPK1
SCHEMBL21973705 0.75 LRRK2 (0.39) HSD17B10HPGDDGAT1ALOX15BRD4
SCHEMBL21974168 0.75 PTGS2 (0.39) PABPC1GAAHPGD
SCHEMBL21973777 0.75 PABPC1 (0.38) ALDH1A1CYP1A2CYP3A4MAPK1CLK4
SCHEMBL21974156 0.75 AR (0.40) DHODHALDH1A1MAPK1KDM4EGAA
SCHEMBL21974159 0.74 DHODH (0.37) DHODHALDH1A1PABPC1AR
SCHEMBL21973782 0.73 PABPC1 (0.39) ALDH1A1MAPK1PABPC1HPGD
SCHEMBL19392332 0.70 KDM4E (0.42) ALDH1A1MAPK1KDM4EGAAHPGD

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
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 — — EP disclosed
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