SCHEMBL5572109

SCHEMBL5572109

Cc1cc(F)ccc1COC(=O)Nc1nccc(C)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.41
MMP1 P03956 4/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
HTT P42858 3/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPK1 P28482 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL5439819 0.73 HPGD (0.44) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL5439813 0.73 HPGD (0.44) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL18700298 0.73 PRMT1 (0.47) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL5437592 0.71 SMN1; SMN2 (0.39) NR3C2MMP1KDM5AKDM4CKDM5B
SCHEMBL5437601 0.71 SMN1; SMN2 (0.39) NR3C2MMP1KDM5AKDM4CKDM5B
SCHEMBL8872290 0.69 MEN1 (0.43) HTTLMNAMAPTALDH1A1MEN1
SCHEMBL10485097 0.68 MMP1 (0.48) NR3C2MMP1KDM5AKDM4CKDM5B
SCHEMBL2473102 0.68 CCNT1 (0.35) NR3C2MMP1KDM5AKDM4CKDM5B
SCHEMBL8872470 0.67 NAMPT (0.48) MAPT
SCHEMBL8872542 0.67 LMNA (0.49) LMNAMAPTALDH1A1MEN1KMT2A

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-1787991-A1 PYRROLOÝ2,3-c¨PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2007-05-23 EP disclosed