SCHEMBL11360428

SCHEMBL11360428

C=CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
CYP2C19 P33261 1/20 0.48
TYMP P19971 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
OPRK1 P41145 1/20 0.44
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
NOS1 P29475 1/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL7803810 0.84 KMT2A (0.51) CA12CA1CA2CA9LMNA
SCHEMBL20350454 0.83 CA12 (0.49) CA12CA1CA2CA9LMNA
SCHEMBL9531393 0.80 LMNA (0.49) CA12CA1CA2CA9LMNA
SCHEMBL11390072 0.80 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL6131654 0.79 KMT2A (0.50) CA12CA1CA2CA9LMNA
SCHEMBL3937887 0.77 CA12 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL9005174 0.77 CA12 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL8530813 0.77 LMNA (0.59) CA12CA1CA2CA9LMNA
SCHEMBL9272320 0.77 KMT2A (0.54) CA12CA1CA2CA9LMNA
SCHEMBL29579255 0.77 CA12 (0.53) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP claimed
EP-0006463-B1 PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 1-ALKYL-NITROIMIDAZOLES BASF Aktiengesellschaft (DE) 1981-11-25 EP disclosed
EP-0006463-B1 PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 1-ALKYL-NITROIMIDAZOLES BASF Aktiengesellschaft (DE) 1981-11-25 EP disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed
EP-0006463-A1 Process for the production of 2-substituted 1-alkyl-nitroimidazoles BASF Aktiengesellschaft (DE) 1980-01-09 EP disclosed