SCHEMBL4733588

SCHEMBL4733588

O=[N+]([O-])c1cc[n+]([O-])c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
MAPT P10636 5/20 0.35
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GFER P55789 1/20 0.32
TSHR P16473 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
PNMT P11086 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL9449722 0.97 MAPT (0.38) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL5126377 0.79 HTR2A (0.33) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL23792086 0.78 MAPT (0.37) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20899427 0.74 HTR2A (0.33) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL30503607 0.71 MAPT (0.47) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL9452622 0.71 MAPT (0.47) HTR2AHTR2CHTR2BMAPTHSD17B10
SCHEMBL20898072 0.69 ALDH1A1 (0.38) HTR2AHTR2CHTR2BMAPTALDH1A1
SCHEMBL8263271 0.67 PARP1 (0.34) HTR2C
SCHEMBL6440408 0.67 CYP1A2 (0.38) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL17144450 0.67 ADRA1A (0.37) HTR2CHTR2BMAPTHSD17B10ALDH1A1

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-2008063625-A2 PYRIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2008-05-29 WO disclosed