SCHEMBL14529233

SCHEMBL14529233

Nc1ccc(Cn2c3ccccc3c3cc(-c4nn[nH]n4)ccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.49
CCR2 P41597 1/20 0.45
RHEB Q15382 1/20 0.43
HTR6 P50406 1/20 0.42
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HBB P68871 1/20 0.41
L3MBTL1 Q9Y468 1/20 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
SCHEMBL1249292 0.91 GP6 (0.51) PTGER4CCR2RHEBAGTR1AGTR2
SCHEMBL1249443 0.91 CYP19A1 (0.53) PTGER4CCR2RHEBAGTR1AGTR2
SCHEMBL1250283 0.90 RPA1 (0.50) PTGER4CCR2RHEBMEN1ALDH1A1
SCHEMBL12914988 0.90 PTGER4 (0.52) PTGER4CCR2RHEBAGTR1AGTR2
SCHEMBL14529390 0.89 PTGER4 (0.48) PTGER4CCR2RHEBMEN1ALDH1A1
SCHEMBL1247955 0.89 PTGER4 (0.49) PTGER4CCR2RHEBAGTR1AGTR2
SCHEMBL1249282 0.89 PTGER4 (0.49) PTGER4CCR2RHEBAGTR1AGTR2
SCHEMBL1250212 0.89 PTGER4 (0.49) PTGER4CCR2AGTR1AGTR2MEN1
SCHEMBL1250111 0.89 PTGER4 (0.54) PTGER4CCR2AGTR1AGTR2ALDH1A1
SCHEMBL1250584 0.88 NPC1 (0.52) PTGER4CCR2AGTR1AGTR2MEN1

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-1429763-B1 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK AS (DK) 2007-05-30 EP disclosed