SCHEMBL11834710

SCHEMBL11834710

Cc1c([N+](=O)[O-])c(N)nc(N)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.41
LMNA P02545 5/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL9202861 0.89 PKM (0.44) PKMKMT2ALMNAMAPTHTT
SCHEMBL3667953 0.85 PKM (0.44) PKMKMT2ALMNAMAPTHTT
SCHEMBL27930543 0.81 PKM (0.44) PKMKMT2ALMNAMAPTHTT
SCHEMBL28276642 0.80 MGMT (0.38) PKMKMT2ALMNAMAPTHTT
SCHEMBL1625081 0.80 LMNA (0.55) PKMKMT2ALMNAMAPTHTT
SCHEMBL8873122 0.80 PKM (0.41) PKMKMT2ALMNAMAPTHTT
SCHEMBL10415524 0.77 ALDH1A1 (0.46) KMT2ALMNAMAPTHTTALDH1A1
SCHEMBL4927428 0.76 TDP1 (0.50) PKMKMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL15957606 0.76 TDP1 (0.50) PKMKMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL9465187 0.76 PKM (0.44) PKMLMNAMAPTHTTALDH1A1

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-3943125-A Substituted tetraamino heterocyclic compounds, useful in the preparation of substituted polybenzimidazoles and poly-imidazopyrrolones HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) 1976-03-09 US disclosed