SCHEMBL1032544

SCHEMBL1032544

Cc1ccc(C(=O)c2c(C)cn(Cc3ccccc3)c2C(=O)N2CCN(c3nccnc3C#N)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.37
SLC6A7 Q99884 2/20 0.37
TP53 P04637 2/20 0.37
OPRD1 P41143 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CFTR P13569 1/20 0.36
POLB P06746 1/20 0.36
SMO Q99835 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1030369 0.87 MAPT (0.43) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL1028175 0.80 TP53 (0.52) MAPTMEN1KMT2ACNR2SLC6A7
SCHEMBL1033202 0.77 KCNA5 (0.46) KDM4EMEN1KMT2AL3MBTL1TP53
SCHEMBL1028655 0.74 KCNA5 (0.44) KDM4EMEN1KMT2AL3MBTL1TP53
SCHEMBL1032620 0.74 HTT (0.53) MAPTMEN1KMT2ACNR2TP53
SCHEMBL13150673 0.73 CASP1 (0.52) MAPTKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL1029484 0.72 HSD11B1 (0.47) L3MBTL1ALDH1A1
SCHEMBL1031902 0.72 LMNA (0.45) MAPTKDM4EL3MBTL1TP53ALDH1A1
SCHEMBL1031811 0.72 HPGD (0.54) MAPTKDM4EMEN1KMT2ACNR2
SCHEMBL1031214 0.71 KCNH2 (0.46) KDM4EMEN1KMT2AALDH1A1LMNA

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-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed