SCHEMBL1031902

SCHEMBL1031902

CC(=O)c1ccc(N2CCN(C(=O)c3c(C(=O)c4ccc(C)cc4)c(C)cn3Cc3ccc(Br)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
MAPT P10636 7/20 0.44
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR183 P32249 2/20 0.40
TP53 P04637 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
SCHEMBL1029042 0.88 LMNA (0.44) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1028175 0.86 TP53 (0.52) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1032620 0.80 HTT (0.53) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1034078 0.79 MAPT (0.46) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1031214 0.79 KCNH2 (0.46) LMNAALDH1A1SMN1; SMN2KDM4EMAPK1
SCHEMBL1029484 0.78 HSD11B1 (0.47) ALDH1A1PKML3MBTL1
SCHEMBL1030249 0.78 ALDH1A1 (0.46) LMNAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL1031811 0.78 HPGD (0.54) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL1030828 0.76 MAPT (0.47) LMNAMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL1032634 0.74 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2POLBKDM4E

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