SCHEMBL1031214

SCHEMBL1031214

Cc1ccc(C(=O)c2c(C)cn(Cc3ccc(Br)cc3)c2C(=O)N2CCN(CCCc3ccccc3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
DRD2 P14416 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
GPR183 P32249 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
THRB P10828 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
SCHEMBL1028958 0.87 SIGMAR1 (0.44) KCNH2SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL1033202 0.85 KCNA5 (0.46) KCNH2KMT2AMEN1ALDH1A1KDM4E
SCHEMBL1028655 0.83 KCNA5 (0.44) KCNH2SIGMAR1KMT2AMEN1ALDH1A1
SCHEMBL1028175 0.80 TP53 (0.52) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL1031902 0.79 LMNA (0.45) ALDH1A1KDM4EMAPK1GPR183LMNA
SCHEMBL1032634 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL17695832 0.77 SIGMAR1 (0.76) KCNH2SIGMAR1KMT2AMEN1DRD2
SCHEMBL1029484 0.76 HSD11B1 (0.47) ALDH1A1THRB
SCHEMBL1030249 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1GPR183LMNA
SCHEMBL1031811 0.75 HPGD (0.54) KMT2AMEN1ALDH1A1KDM4ELMNA

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