SCHEMBL14178404

SCHEMBL14178404

Clc1ccccc1-c1c(-c2ccccc2)nc(-c2ccccc2)n1C1(c2ccccc2Cl)N=C(c2ccccc2)C(c2ccccc2)=N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
MAPK13 O15264 1/20 0.33
RAF1 P04049 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
LMNA P02545 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
NR4A2 P43354 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
SCHEMBL29359500 0.91 HSD11B1 (0.37) HSD11B1CYP2A6KDM4EKMT2APKM
SCHEMBL29749791 0.91 HSD11B1 (0.37) HSD11B1CYP2A6KDM4EKMT2APKM
SCHEMBL307038 0.91 HSD11B1 (0.37) HSD11B1CYP2A6KDM4EKMT2APKM
SCHEMBL15926080 0.85 AKT1 (0.34) HSD11B1KDM4EKMT2APKMPTGS1
SCHEMBL13645037 0.84 HSD11B1 (0.37) HSD11B1CYP2A6KDM4EKMT2APKM
SCHEMBL13707049 0.83 HSD11B1 (0.38) HSD11B1CYP2A6KMT2ALMNAPTGS1
SCHEMBL30358509 0.83 L3MBTL1 (0.39) HSD11B1KDM4EKMT2ALMNAL3MBTL1
SCHEMBL3094986 0.83 L3MBTL1 (0.39) HSD11B1KDM4EKMT2ALMNAL3MBTL1
SCHEMBL16355187 0.82 KDM4E (0.43) KDM4ELMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL16355186 0.82 KDM4E (0.43) KDM4ELMNAGAAL3MBTL1SMN1; SMN2

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
US-7374863-B2 Polyurethane binder, photoinitiator, and acrylic acid; for use as image recording layer of negative lithographic printing plate precursor; drawing with laser light FUJIFILM CORPORATION (JP) 2008-05-20 US disclosed
US-7374863-B2 Polyurethane binder, photoinitiator, and acrylic acid; for use as image recording layer of negative lithographic printing plate precursor; drawing with laser light FUJIFILM CORPORATION (JP) 2008-05-20 US disclosed