SCHEMBL1031886

SCHEMBL1031886

Cc1ccc(-c2c(C)cn(C)c2OC(=O)NCc2cc(F)cc(F)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
PDE10A Q9Y233 1/20 0.35
WDR5 P61964 2/20 0.35
MET P08581 1/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RIPK1 Q13546 1/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL1032752 0.91 EPHX1 (0.40) METAP2PDE10AFAAHRIPK1
SCHEMBL1031804 0.81 ALDH1A1 (0.42) METAP2LMNAALDH1A1KMT2AWDR5
SCHEMBL1028564 0.81 ALDH1A1 (0.38) METAP2LMNAALDH1A1KMT2AWDR5
SCHEMBL1030186 0.74 GAA (0.46) LMNAALDH1A1KMT2AMEN1TP53
SCHEMBL1030127 0.74 KMT2A (0.39) METAP2LMNAALDH1A1KMT2AMEN1
SCHEMBL1030010 0.74 MAPK14 (0.50) WDR5
SCHEMBL1031357 0.73 P2RX7 (0.46)
SCHEMBL1032170 0.72 RIPK1 (0.47) LMNAALDH1A1METRIPK1
SCHEMBL1032701 0.72 ALDH1A1 (0.44) LMNAALDH1A1TP53
SCHEMBL1031423 0.70 CYP3A4 (0.40) ALDH1A1TP53

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 2 patents. 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
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 disclosed