SCHEMBL1028655

SCHEMBL1028655

Cc1ccc(C(=O)c2c(C)cn(Cc3ccccc3)c2C(=O)N2CCN(CCN(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1033202 0.89 KCNA5 (0.46) KCNA5ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1028656 0.86 SMN1; SMN2 (0.43) KCNA5ALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1032634 0.86 ALDH1A1 (0.41) KCNA5ALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL1031214 0.83 KCNH2 (0.46) ALDH1A1MAPK1LMNASMN1; SMN2MEN1
SCHEMBL1028175 0.81 TP53 (0.52) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL1029484 0.77 HSD11B1 (0.47) ALDH1A1L3MBTL1PKM
SCHEMBL1031811 0.77 HPGD (0.54) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL13211936 0.75 KCNA5 (0.59) KCNA5ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1028167 0.75 DRD4 (0.42) KCNA5MAPK1LMNAMEN1KMT2A
SCHEMBL1032620 0.75 HTT (0.53) ALDH1A1LMNASMN1; SMN2TP53MEN1

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