SCHEMBL5572107

SCHEMBL5572107

Cc1cc(F)ccc1Cc1cnc(OC(N)=O)c([N+](=O)[O-])c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
KDM4C Q9H3R0 2/20 0.33
JAK3 P52333 1/20 0.33
MMP1 P03956 4/20 0.32
MGMT P16455 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
SLC6A4 P31645 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
NOTUM Q6P988 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28736511 0.67 MAP4K4 (0.40) HTTLMNAALDH1A1MAPTMEN1
SCHEMBL5572109 0.62 NR3C2 (0.41) NR3C2HTTLMNAKDM4CMMP1
SCHEMBL5437592 0.62 SMN1; SMN2 (0.39) NR3C2HTTLMNAKDM4CMMP1
SCHEMBL5437601 0.62 SMN1; SMN2 (0.39) NR3C2HTTLMNAKDM4CMMP1
SCHEMBL28178459 0.61 CYP1A2 (0.45) HTTLMNAALDH1A1MAPTNOTUM
SCHEMBL14495394 0.61 P2RX7 (0.47) NR3C2HTTKDM4CMMP1KDM5A
SCHEMBL28406748 0.61 HSPB1 (0.50) MAPTKMT2ATDP1L3MBTL1
SCHEMBL20240814 0.60 MAPT (0.43) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL28317434 0.60 KDM4E (0.45) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL16914166 0.60 POLB (0.34) HTTLMNAALDH1A1MAPTMAPK1

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