SCHEMBL3391875

SCHEMBL3391875

O=[N+]([O-])C1[C]=CCc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 2/20 0.30
ANPEP P15144 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
SCHEMBL7476953 0.75 ANPEP (0.32) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL3389204 0.70 HTR2A (0.35) HTR2AHTR2CANPEP
SCHEMBL3634708 0.69 PRCP (0.38) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL4290508 0.68 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL874497 0.68 HTR2A (0.34) HTR2AHTR2CCYP2C19ANPEP
SCHEMBL458495 0.68 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL455932 0.68 HTR2A (0.34) HTR2AHTR2CANPEP
SCHEMBL6521360 0.68 HTR2A (0.35) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL458123 0.68 HTR2A (0.34) HTR2AHTR2CANPEP
SCHEMBL4307808 0.68 HTR2A (0.34) HTR2AHTR2CANPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed