SCHEMBL6629264

SCHEMBL6629264

COc1ccc(N2C(=O)C3=C(c4ccc(C)cc4)N(c4ccc(OC)cc4)C(=O)C3=C2c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 1/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAD51 Q06609 1/20 0.47
GAA P10253 1/20 0.47
NR1H3 Q13133 2/20 0.46
ESR1 P03372 1/20 0.46
APP P05067 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H2 P55055 1/20 0.44
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
CUL4A Q13619 1/20 0.43
GRM1 Q13255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6629542 0.86 NR1H3 (0.58) MGLLMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9836388 0.80 F2 (0.48) MGLLMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1471797 0.76 MGLL (0.50) MGLLMEN1KMT2APOLBACHE
SCHEMBL1471737 0.76 MGLL (0.50) MGLLMEN1KMT2APOLBACHE
SCHEMBL15354483 0.75 ACHE (0.43) MEN1KMT2AACHESMN1; SMN2NR1H3
SCHEMBL12341700 0.74 ESR1 (0.63) MGLLMEN1KMT2APOLBACHE
SCHEMBL12572501 0.74 ESR1 (0.62) MEN1KMT2ASMN1; SMN2GAANR1H3
SCHEMBL16786672 0.73 MEN1 (0.56) MGLLMEN1KMT2APOLBACHE
SCHEMBL10050140 0.73 KMT2A (0.40) MGLLMEN1KMT2AGAAAPP
SCHEMBL29644729 0.72 NR1H3 (0.69) MGLLMEN1KMT2APOLBSMN1; SMN2

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-1349860-B1 SYNTHESES FOR PREPARING 1,4-DIKETOPYRROLO[3,4-C]PYRROLES SUN CHEMICAL CORP (US) 2004-08-18 EP disclosed