Pyrrole

Pyrrole

SCHEMBL28239882

O=Cc1cccnc1C=O.c1cc[nH]c1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.48
TRIM33 Q9UPN9 2/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ERN1 O75460 4/20 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
SCHEMBL346904 0.88 TRIM24 (0.59) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL30556656 0.75 TRIM24 (0.53) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL21393352 0.75 TRIM24 (0.53) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL4322480 0.75 TRIM24 (0.53) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL2084748 0.75 TRIM24 (0.48) TRIM24TRIM33KMT2AMEN1LMNA
Imidazole SCHEMBL11142652 0.73 ALDH1A1 (0.38) TRIM24TRIM33KMT2AALDH1A1
2-Pyridinecarboxaldehyde SCHEMBL28135359 0.69 MEN1 (0.52) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL872518 0.69 TRIM24 (0.40) TRIM24TRIM33KMT2AMEN1NPC1
SCHEMBL8450489 0.69 FGF23 (0.48) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL8512088 0.69 S100A4 (0.45) TRIM24TRIM33KMT2AMEN1LMNA

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
CN-108435255-A A kind of monatomic catalyst of iridium and the preparation method and application thereof 陕西理工大学 2018-08-24 CN claimed