SCHEMBL6813648

SCHEMBL6813648

Cc1c(=O)c(Cc2ccc(F)c(F)c2)cn2nc(C(=O)NCc3ccncc3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37
CACNA1G O43497 3/20 0.37
CACNA1H O95180 3/20 0.37
CACNA1I Q9P0X4 3/20 0.37
MMP13 P45452 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPK7 Q13164 3/20 0.36
MAPK14 Q16539 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDE2A O00408 1/20 0.35

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
SCHEMBL6478088 0.92 PTGER4 (0.41) ALDH1A1HPGDCACNA1GCACNA1HCACNA1I
SCHEMBL6813649 0.84 KDM5A (0.36) ALDH1A1PDE2A
SCHEMBL6476575 0.83 KDM5A (0.40) ALDH1A1CACNA1HL3MBTL1PDE2A
SCHEMBL6813645 0.82 FYN (0.36) ALDH1A1PDE2A
SCHEMBL6289023 0.74 CNR2 (0.41) HPGDCACNA1GCACNA1HCACNA1IMMP13
SCHEMBL6484781 0.73 PTGER4 (0.41) ALDH1A1LMNAHPGDCACNA1GCACNA1H
SCHEMBL6477100 0.73 CHRM4 (0.43) CACNA1GCACNA1HCACNA1I
SCHEMBL6477648 0.73 POLB (0.42) SMN1; SMN2ALDH1A1HPGDMAPK1CACNA1G
SCHEMBL6819154 0.71 PTGER4 (0.41) ALDH1A1LMNAHPGDCACNA1GCACNA1H
SCHEMBL6818605 0.71 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAHPGDHTT

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