SCHEMBL1031573

SCHEMBL1031573

COc1ccccc1C1CCN(C(=O)c2c(C(=O)c3ccc(C)cc3)c(C)cn2Cc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.52
MEN1 O00255 7/20 0.52
LMNA P02545 1/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM4 P08173 1/20 0.42
TP53 P04637 1/20 0.41
DRD4 P21917 2/20 0.40
ATM Q13315 1/20 0.40
DRD2 P14416 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
SCHEMBL1030367 0.87 KMT2A (0.48) KMT2AMEN1LMNAHSD11B1ALDH1A1
SCHEMBL1029484 0.82 HSD11B1 (0.47) HSD11B1ALDH1A1
SCHEMBL1030828 0.79 MAPT (0.47) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1031081 0.79 ALDH1A1 (0.48) LMNAALDH1A1TP53
SCHEMBL1029933 0.78 ALDH1A1 (0.58) KMT2AMEN1LMNAHSD11B1ALDH1A1
SCHEMBL1031510 0.75 MEN1 (0.51) KMT2AMEN1
SCHEMBL1028175 0.74 TP53 (0.52) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1031811 0.74 HPGD (0.54) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1034078 0.73 MAPT (0.46) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1033202 0.71 KCNA5 (0.46) KMT2AMEN1LMNAALDH1A1TP53

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