SCHEMBL9434831

SCHEMBL9434831

CC(=O)/C(=C/c1ccccc1[N+](=O)[O-])c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAOB P27338 1/20 0.45
RAB9A P51151 3/20 0.44
ATM Q13315 2/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
NPC1 O15118 2/20 0.42
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HPGD P15428 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
SCHEMBL9434836 1.00 MAPT (0.51) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9434816 0.80 MAPT (0.52) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9433575 0.80 MAPT (0.52) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5257443 0.79 L3MBTL1 (0.44) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5257447 0.79 L3MBTL1 (0.44) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11224609 0.77 MAOB (0.59) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11224613 0.77 MAOB (0.59) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL11224607 0.77 MAOB (0.59) MAPTNPSR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL9434339 0.76 GLO1 (0.63) MAPTNPSR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL9434342 0.76 GLO1 (0.63) MAPTNPSR1ALDH1A1SMN1; SMN2KMT2A

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