SCHEMBL27680372

SCHEMBL27680372

CCOn1c(Br)nc([N+](=O)[O-])c1C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.38
HTT P42858 5/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 4/20 0.33
S1PR4 O95977 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
JAK2 O60674 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
MITF O75030 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
SCHEMBL10102727 0.72 MAPT (0.36) MAPTHTTPOLBNPC1RAB9A
SCHEMBL4189866 0.67 MAPT (0.46) MAPTHTTPOLBNPC1RAB9A
SCHEMBL31144987 0.62 MAPT (0.41) MAPTHTTPOLBNPC1RAB9A
SCHEMBL10482580 0.62 MAPT (0.41) MAPTHTTPOLBRAB9ASMN1; SMN2
SCHEMBL27297653 0.62 LMNA (0.54) SMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL58073 0.62 MAPT (0.51) MAPTHTTPOLBNPC1RAB9A
SCHEMBL10102725 0.61 GAA (0.34) MAPTHTTPOLBNPC1RAB9A
SCHEMBL3192831 0.61 MAPT (0.61) MAPTHTTPOLBNPC1RAB9A
SCHEMBL29105505 0.60 ALDH1A1 (0.43) MAPTHTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL10102722 0.60 MAPT (0.36) MAPTHTTPOLBSMN1; SMN2ALDH1A1

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
CN-101027287-A Method for producing 2-chloro-4-nitroimidazole OTSUKA PHARMA CO LTD (JP) 2007-08-29 CN disclosed