SCHEMBL8723686

SCHEMBL8723686

O=[N+]([O-])c1cc(Cc2ccccc2)cc([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
ALDH1A1 P00352 9/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
NOD2 Q9HC29 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 2/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL16519973 0.85 TDP1 (0.48) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL27986576 0.81 HTR1A (0.50) CALM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10775472 0.78 CTSB (0.43) CALM1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1601110 0.77 IDH1 (0.58) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL29936572 0.77 VCAM1 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1601620 0.77 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10652958 0.77 CES2 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9511525 0.77 VCAM1 (0.56) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL6951249 0.77 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2137454 0.77 ALDH1A1 (0.53) CALM1ALDH1A1MEN1KMT2AMAPT

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
US-5721088-A CATIONIC OR ANIONIC POSITIVE-ACTING PHOTORESISTS CONTAINING A PHOTOSENSITIVE COMPONENT AND A MICROGEL PPG INDUSTRIES, INC. (US) 1998-02-24 US disclosed