SCHEMBL10940951

SCHEMBL10940951

CCC1([N+](=O)[O-])C=CC(C=Cc2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.36
NFE2L2 Q16236 2/20 0.35
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
RELA Q04206 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPK1 P28482 2/20 0.30
CHAT P28329 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
S1PR4 O95977 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL6857278 0.80 NFE2L2 (0.43) FBP1NFE2L2MAPTTAAR1MEN1
SCHEMBL8930790 0.79 FBP1 (0.40) FBP1NFE2L2TAAR1MEN1KMT2A
SCHEMBL1101015 0.78 FBP1 (0.37) FBP1NFE2L2MAPTTAAR1RELA
SCHEMBL9190188 0.77 FBP1 (0.39) FBP1NFE2L2MAPTCYP2C9TAAR1
SCHEMBL9189945 0.77 FBP1 (0.39) FBP1NFE2L2TAAR1MEN1KMT2A
SCHEMBL9089397 0.77 FBP1 (0.36) FBP1NFE2L2TAAR1RELAMEN1
SCHEMBL7893426 0.76 FBP1 (0.36) FBP1NFE2L2TAAR1MEN1KMT2A
SCHEMBL9186102 0.75 FBP1 (0.37) FBP1NFE2L2MAPTCYP2C9TAAR1
SCHEMBL10943249 0.75 FBP1 (0.37) FBP1NFE2L2TAAR1MEN1KMT2A
SCHEMBL28697334 0.71 CHAT (0.35) NFE2L2RELAMEN1KMT2ACHAT

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-4529556-A Aryl substituted with hydroxy, epoxy or glycidyl groups THE DOW CHEMICAL COMPANY (US) 1985-07-16 US disclosed