SCHEMBL249684

SCHEMBL249684

Cc1nc2ncccc2cc1C(=O)O.Cc1nc2ncccc2cc1C(=O)OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.45
RAB9A P51151 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HSP90AA1 P07900 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
MMP9 P14780 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL250232 0.97 EGLN1 (0.47) EGLN1RAB9AL3MBTL1TSHRCASP3
SCHEMBL250677 0.82 POLB (0.44) EGLN1RAB9AL3MBTL1TSHRCASP3
SCHEMBL249063 0.80 PRKCA (0.50) EGLN1RAB9AL3MBTL1KMT2AMMP1
SCHEMBL249835 0.79 RAB9A (0.59) RAB9AL3MBTL1TSHRKMT2AMEN1
SCHEMBL125290 0.78 LMNA (0.51) RAB9AL3MBTL1TSHRKMT2AMEN1
SCHEMBL619376 0.78 LIPG (0.49) EGLN1KMT2AMEN1RXFP1ALDH1A1
SCHEMBL28912380 0.77 TSHR (0.52) RAB9ATSHRKMT2AMEN1HSP90AA1
SCHEMBL249442 0.77 CYP1A2 (0.45) EGLN1RAB9AL3MBTL1TSHRPOLB
SCHEMBL10233174 0.74 ALDH1A1 (0.49) L3MBTL1TSHRKMT2AMEN1HSP90AA1
SCHEMBL5297257 0.72 ALDH1A1 (0.58) RAB9AL3MBTL1KMT2AMEN1ALDH1A1

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-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed