SCHEMBL2473104

SCHEMBL2473104

Cc1cc(F)ccc1CN(C(=O)O)c1ncc(C(C)(C)C)c(C)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
SNCA P37840 2/20 0.32
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
NR3C2 P08235 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ARNT P27540 1/20 0.31
EPAS1 Q99814 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL5437601 0.83 SMN1; SMN2 (0.39) POLBATMSMN1; SMN2LMNAALDH1A1
SCHEMBL5437592 0.83 SMN1; SMN2 (0.39) POLBATMSMN1; SMN2LMNAALDH1A1
SCHEMBL2473102 0.75 CCNT1 (0.35) POLBATMSMN1; SMN2LMNAALDH1A1
SCHEMBL2473585 0.73 ALDH1A1 (0.31) ALDH1A1KDM4CKDM5AKDM5BMAPK1
SCHEMBL5439596 0.69 FBP1 (0.33) ALDH1A1MAPTKDM4CKDM5AKDM5B
SCHEMBL5439602 0.69 FBP1 (0.33) ALDH1A1MAPTKDM4CKDM5AKDM5B
SCHEMBL5439591 0.69 FBP1 (0.33) ALDH1A1MAPTKDM4CKDM5AKDM5B
Potassium Ion SCHEMBL2477023 0.67 FBP1 (0.33) MAPT
SCHEMBL31053997 0.63 IDO1 (0.45) MEN1KMT2A
SCHEMBL5572107 0.62 NR3C2 (0.36) LMNAALDH1A1MAPTKDM4CKDM5A

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-B1 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed