SCHEMBL7804329

SCHEMBL7804329

COc1ccc(C(N)c2ccc(F)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HIF1A Q16665 1/20 0.44
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRM4 Q14833 1/20 0.42
VCAM1 P19320 1/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 8/20 0.39
MAPK1 P28482 5/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 1/20 0.39
RAF1 P04049 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17602332 0.82 PDK1 (0.43) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL29744326 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1KMT2AMEN1
SCHEMBL3192746 0.80 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1KMT2AMEN1
SCHEMBL7803588 0.80 TUBB4A (0.42) ALDH1A1GRM8GRM6GRM4KMT2A
SCHEMBL7803614 0.78 MAPT (0.46) ALDH1A1HIF1AKMT2AMEN1MAPT
SCHEMBL4407574 0.78 ALDH1A1 (0.50) ALDH1A1HIF1AVCAM1KMT2AMEN1
SCHEMBL7802202 0.77 APP (0.55) ALDH1A1KMT2AMEN1RAB9AMAPT
SCHEMBL16654006 0.77 ALDH1A1 (0.53) ALDH1A1HIF1AGRM8GRM6GRM4
SCHEMBL7383304 0.76 ALDH1A1 (0.51) ALDH1A1HIF1AGRM8GRM6GRM4
SCHEMBL7801278 0.76 NFE2L2 (0.55) ALDH1A1KMT2AMEN1RAB9AMAPT

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
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed