SCHEMBL29548950

SCHEMBL29548950

Nc1cc(Br)ccc1Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPT P10636 11/20 0.42
KDM4E B2RXH2 8/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
GAA P10253 8/20 0.42
GFER P55789 5/20 0.42
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
EGFR P00533 2/20 0.41
PRKD3 O94806 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41

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
SCHEMBL3013794 1.00 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL12946054 0.89 MAPK13 (0.47) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL15638942 0.86 HDAC1 (0.42) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL11400584 0.82 MAPK13 (0.49) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL11468680 0.82 KDM4E (0.56) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL952942 0.81 MAPT (0.59) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL29330480 0.81 MAPT (0.50) MAPK14MAPTKDM4EMEN1KMT2A
SCHEMBL31402919 0.79 GAA (0.53) MAPK14MAPTKDM4EMEN1KMT2A
SCHEMBL25250382 0.78 KDM4E (0.62) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL27728400 0.78 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11MAPT

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-3986885-A1 SUBSTITUTED PYRROLIDINE AMIDES IV Grünenthal GmbH (DE) 2022-04-27 EP disclosed