SCHEMBL9433902

SCHEMBL9433902

CC(=O)C(=Cc1cccc([N+](=O)[O-])c1)c1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 1/20 0.61
GLO1 Q04760 2/20 0.55
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 3/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FBP1 P09467 1/20 0.47
PBRM1 Q86U86 1/20 0.46
MET P08581 1/20 0.44
SMO Q99835 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 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
SCHEMBL9433899 1.00 MAPT (0.61) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL2726023 0.81 KIF20A (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL2726026 0.81 KIF20A (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL31120388 0.80 MAPT (0.58) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL9433464 0.78 GLO1 (0.61) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL9433460 0.78 GLO1 (0.61) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL9434300 0.77 GLO1 (0.54) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL9434299 0.77 GLO1 (0.54) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL9433467 0.76 GLO1 (0.56) MAPTRAB9ANPC1GLO1MEN1
SCHEMBL9433473 0.76 GLO1 (0.56) MAPTRAB9ANPC1GLO1MEN1

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