Pyrrole

Pyrrole

SCHEMBL5264307

O=C(O)Oc1cncnc1.c1cc[nH]c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TBXA2R P21731 3/20 0.33
TBXAS1 P24557 2/20 0.33
VNN1 O95497 1/20 0.33
BCAT2 O15382 1/20 0.33
CYP19A1 P11511 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL187133 0.86 HCAR2 (0.54) HCAR2MEN1HTTGFERKMT2A
Pyrrole SCHEMBL5465677 0.79 HCAR2 (0.71) HCAR2MEN1KMT2AHSD17B10TBXA2R
SCHEMBL1921878 0.71 LMNA (0.46) HCAR2MEN1KMT2AHSD17B10
SCHEMBL28029118 0.70 LMNA (0.45) HCAR2MEN1KMT2AHSD17B10
Pyrrole SCHEMBL5264669 0.69 P2RX7 (0.37) MEN1HTTGFERKMT2ATBXA2R
SCHEMBL686904 0.69 KMT2A (0.40) MEN1HTTGFERKMT2AHSD17B10
Methylamine SCHEMBL27659540 0.68 LMNA (0.43) HCAR2MEN1KMT2AHSD17B10CYP19A1
SCHEMBL25220465 0.68 KMT2A (0.53) HCAR2MEN1KMT2AHSD17B10BCAT2
SCHEMBL9978366 0.67 MEN1 (0.46) HCAR2MEN1KMT2ABCAT2
SCHEMBL31123876 0.67 KMT2A (0.56) HCAR2MEN1KMT2AHSD17B10

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-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed