SCHEMBL7900517

SCHEMBL7900517

CCOC(=O)C(Cl)=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.53
MAPT P10636 9/20 0.50
LMNA P02545 7/20 0.50
GLO1 Q04760 1/20 0.50
KMT2A Q03164 6/20 0.48
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
PTGS2 P35354 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL7900516 1.00 FBP1 (0.53) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL1856657 0.85 GLO1 (0.66) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL3034223 0.84 GLO1 (0.54) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL14477226 0.84 GLO1 (0.51) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL1094899 0.84 GLO1 (0.51) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL1094901 0.84 GLO1 (0.51) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL3034226 0.84 GLO1 (0.54) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL8942547 0.84 GLO1 (0.72) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL30172648 0.84 GLO1 (0.72) FBP1MAPTLMNAGLO1KMT2A
SCHEMBL8942542 0.84 GLO1 (0.72) FBP1MAPTLMNAGLO1KMT2A

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-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed