SCHEMBL5189175

SCHEMBL5189175

COCn1c(Br)nc([N+](=O)[O-])c1Br.COCn1cc([N+](=O)[O-])nc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
HTT P42858 6/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MITF O75030 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
JAK2 O60674 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HKDC1 Q2TB90 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.34
SOS1 Q07889 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL58070 0.87 ALDH1A1 (0.49) MAPTHTTPOLBALDH1A1MITF
SCHEMBL5188985 0.86 ALDH1A1 (0.40) MAPTHTTPOLBALDH1A1MITF
SCHEMBL58073 0.85 MAPT (0.51) MAPTHTTPOLBALDH1A1NPSR1
SCHEMBL4194009 0.73 ALDH1A1 (0.50) MAPTHTTPOLBALDH1A1MITF
SCHEMBL4189866 0.72 MAPT (0.46) MAPTHTTPOLBALDH1A1NPSR1
SCHEMBL16324474 0.71 ALDH1A1 (0.68) MAPTPOLBALDH1A1MITFSMN1; SMN2
SCHEMBL12901284 0.70 ALDH1A1 (0.43) POLBALDH1A1MITFSOS1PKM
SCHEMBL31437774 0.67 ALDH1A1 (0.49) MAPTPOLBALDH1A1MITFLMNA
SCHEMBL5180079 0.67 MAPT (0.36) MAPTHTTPOLBALDH1A1
SCHEMBL3466332 0.65 ALDH1A1 (0.46) MAPTPOLBALDH1A1MITFLMNA

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
EP-1794132-A2 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
WO-2006035960-A2 PROCESS FOR PRODUCTION OF 2-CHLORO-4-NITROIMIDAZOLE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed