SCHEMBL9273639

SCHEMBL9273639

O=C(O)N(c1ccc([N+](=O)[O-])cc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 7/20 0.52
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CRHBP P24387 1/20 0.49
ATM Q13315 1/20 0.49
CRHR2 Q13324 1/20 0.49
TLR9 Q9NR96 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
NAMPT P43490 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL9273631 1.00 MAPT (0.52) MAPTALDH1A1CYP11B1CYP11B2KMT2A
SCHEMBL12782094 0.87 ALDH1A1 (0.51) MAPTALDH1A1CYP11B1CYP11B2KMT2A
SCHEMBL21247872 0.85 ALDH1A1 (0.67) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL9264299 0.83 L3MBTL1 (0.56) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL16398787 0.83 GAA (0.50) ALDH1A1RAB9ANPSR1NAMPTNPC1
SCHEMBL29182467 0.83 ALDH1A1 (0.57) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL4517966 0.79 L3MBTL1 (0.51) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL25214800 0.77 ALDH1A1 (0.41) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL11856687 0.77 GAA (0.53) MAPTALDH1A1KMT2AMEN1CRHBP
SCHEMBL7370263 0.75 TRPV1 (0.57) MAPTALDH1A1CYP11B1CYP11B2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466817-A Benzopyran derivatives and heterocyclic analogs thereof as antiischemic agents E.R. SQUIBB & SONS, INC. (US) 1995-11-14 US disclosed