SCHEMBL9433645

SCHEMBL9433645

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.69
HTT P42858 2/20 0.69
ALDH1A1 P00352 3/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TBXAS1 P24557 2/20 0.51
NAMPT P43490 1/20 0.51
TGM2 P21980 1/20 0.48
BCHE P06276 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL7382581 0.87 TGM2 (0.66) MAPTHTTALDH1A1LMNANPC1
SCHEMBL9433826 0.83 TBXAS1 (0.57) MAPTHTTPOLBNPC1RAB9A
SCHEMBL9433920 0.83 TBXAS1 (0.56) MAPTHTTPOLBNPC1RAB9A
SCHEMBL9433523 0.82 TBXAS1 (0.56) MAPTHTTPOLBNPC1RAB9A
SCHEMBL9433504 0.82 TBXAS1 (0.56) MAPTHTTALDH1A1POLBNPC1
SCHEMBL9434018 0.82 TBXAS1 (0.56) MAPTHTTLMNAPOLBNPC1
SCHEMBL9433587 0.79 ALDH1A1 (0.61) MAPTHTTALDH1A1LMNANPC1
SCHEMBL9434294 0.79 MAPT (0.63) MAPTHTTALDH1A1LMNAPOLB
SCHEMBL9433343 0.79 TBXAS1 (0.52) MAPTHTTPOLBNPC1RAB9A
SCHEMBL3014843 0.78 MAPT (1.00) MAPTHTTALDH1A1LMNAPOLB

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