SCHEMBL9434816

SCHEMBL9434816

CC(=O)C(=Cc1ccccc1[N+](=O)[O-])c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.43
SNCA P37840 2/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.41
FTO Q9C0B1 1/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9433575 1.00 MAPT (0.52) MAPTSMN1; SMN2GAANPSR1RAB9A
SCHEMBL11319186 0.85 MAPT (0.52) MAPTSMN1; SMN2GAANPSR1RAB9A
SCHEMBL9433788 0.81 ALDH1A1 (0.49) MAPTSMN1; SMN2GAANPSR1RAB9A
SCHEMBL9434836 0.80 MAPT (0.51) MAPTSMN1; SMN2GAANPSR1RAB9A
SCHEMBL9434831 0.80 MAPT (0.51) MAPTSMN1; SMN2GAANPSR1RAB9A
SCHEMBL9434713 0.79 ALDH1A1 (0.50) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL9434495 0.79 ALDH1A1 (0.50) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL9433640 0.79 RAB9A (0.62) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL9433771 0.79 RAB9A (0.62) MAPTSMN1; SMN2GAARAB9ANPC1
SCHEMBL9433401 0.79 MAPT (0.64) MAPTSMN1; SMN2GAARAB9ANPC1

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