SCHEMBL9433464

SCHEMBL9433464

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.61
FBP1 P09467 1/20 0.49
HSP90AA1 P07900 1/20 0.48
CCR6 P51684 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
NFE2L2 Q16236 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAOB P27338 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.44
NTSR1 P30989 1/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL9433460 1.00 GLO1 (0.61) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9434867 0.83 MAPT (0.61) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9434871 0.83 MAPT (0.61) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9434126 0.80 GLO1 (0.57) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9433532 0.79 GLO1 (0.56) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9434206 0.79 GLO1 (0.56) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9433937 0.79 GLO1 (0.56) GLO1FBP1HSP90AA1CCR6CA1
SCHEMBL9433902 0.78 MAPT (0.61) GLO1FBP1CA1CA2CA4
SCHEMBL9433899 0.78 MAPT (0.61) GLO1FBP1CA1CA2CA4
SCHEMBL9433701 0.77 GLO1 (0.64) GLO1FBP1CA1CA2CA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed