SCHEMBL11870529

SCHEMBL11870529

Cn1c(CBr)nc([N+](=O)[O-])c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.40
HTT P42858 8/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
JAK2 O60674 3/20 0.36
HKDC1 Q2TB90 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 6/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL11860841 0.86 MAPT (0.38) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL11868445 0.84 MAPT (0.42) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL31144987 0.77 MAPT (0.41) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL11867488 0.77 KMT2A (0.34) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL11867402 0.77 MAPT (0.43) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL8340603 0.76 MAPT (0.50) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL10102781 0.72 MAPT (0.39) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL10102725 0.71 GAA (0.34) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL11860831 0.70 MAPT (0.36) MAPTHTTPOLBNPSR1SMN1; SMN2
SCHEMBL10102752 0.68 KMT2A (0.33) MAPTHTTPOLBNPSR1SMN1; SMN2

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-3968228-A 4-Nitro-5-cyanoimidazoles as coccidiostats MERCK & CO., INC. (US) 1976-07-06 US disclosed