SCHEMBL11196682

SCHEMBL11196682

Nc1nnc(N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ ALDH1A1 P00352 8/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ CASP4 P49662 1/20 0.54
▸ CASP5 P51878 1/20 0.54
▸ ACHE P22303 1/20 0.51
▸ LMNA P02545 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ CHRM1 P11229 1/20 0.43
▸ DRD2 P14416 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
SCHEMBL16825748 0.81 MEN1 (0.60) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL12511057 0.79 ACHE (0.74) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL11202780 0.79 POLB (0.56) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL11196310 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL10856538 0.76 GAA (0.58) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL2372693 0.74 ACHE (0.70) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL9621558 0.73 ACHE (0.65) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL4586698 0.73 ACHE (0.69) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL14351628 0.72 ACHE (0.68) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL8309423 0.72 MEN1 (0.63) POLBMEN1KMT2AALDH1A1KDM4E

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-4421753-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1983-12-20 — — US claimed
Send feedback