SCHEMBL8925970

SCHEMBL8925970

O=C(O)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
KMT2A Q03164 3/20 0.41
CRHBP P24387 3/20 0.41
CRHR2 Q13324 3/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
TLR9 Q9NR96 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL4737917 0.84 ALDH1A1 (0.41) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL28950933 0.83 NPSR1 (0.48) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL175271 0.83 ALDH1A1 (0.44) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL516295 0.82 ATM (0.39) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL4373512 0.80 ALDH1A1 (0.41) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL6825300 0.80 ATM (0.42) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL30940203 0.78 ALDH1A1 (0.46) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL5143722 0.77 ALDH1A1 (0.40) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL16236160 0.77 ALDH1A1 (0.45) ALDH1A1KMT2ACRHBPCRHR2ATM
SCHEMBL5143721 0.77 ALDH1A1 (0.40) ALDH1A1KMT2ACRHBPCRHR2ATM

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-5700295-A UV absorbers, their preparation and the use thereof CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-12-23 US disclosed