SCHEMBL6819154

SCHEMBL6819154

Cc1cc(Cc2ccc(F)c(F)c2)c(=O)n2nc(C(=O)NCc3ccccc3)[nH]c12.Cc1cc(Cc2ccc(F)c(F)c2)c(=O)n2nc(C(=O)O)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
KDM4E B2RXH2 3/20 0.38
CACNA1G O43497 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNA1I Q9P0X4 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MMP13 P45452 2/20 0.38
P2RX7 Q99572 1/20 0.38
PDE2A O00408 3/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
S1PR3 Q99500 1/20 0.37
KLK1 P06870 1/20 0.37

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
SCHEMBL6484781 0.97 PTGER4 (0.41) PTGER4KDM4ECACNA1GCACNA1HCACNA1I
SCHEMBL6490897 0.89 KDM5A (0.38) MMP13P2RX7PDE2A
SCHEMBL6476549 0.87 NR1H4 (0.44) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6819160 0.84 KDM4E (0.35) PTGER4KDM4ECACNA1GCACNA1HCACNA1I
SCHEMBL6289370 0.80 MMP13 (0.46) PTGER4MMP13MAPTKLK1
SCHEMBL6478088 0.79 PTGER4 (0.41) PTGER4KDM4ECACNA1GCACNA1HCACNA1I
SCHEMBL6819023 0.79 MMP13 (0.38) PTGER4KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6819026 0.75 MAPT (0.35) KDM4EALDH1A1HPGDHSD17B10PDE2A
SCHEMBL6489420 0.75 GRM4 (0.35) P2RX7RXFP1
SCHEMBL6289023 0.74 CNR2 (0.41) PTGER4CACNA1GCACNA1HCACNA1IHPGD

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed