SCHEMBL11269447

SCHEMBL11269447

O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.38
CTSB P07858 1/20 0.38
GALR2 O43603 1/20 0.37
MPI P34949 1/20 0.37
CCR6 P51684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 6/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 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
SCHEMBL2680731 0.80 CYP3A4 (0.39) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL217092 0.78 ALDH1A1 (0.44) MAPTHTTMEN1KMT2AMITF
SCHEMBL5726490 0.78 ALDH1A1 (0.44) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL8448176 0.78 ERN1 (0.42) MAPTMEN1KMT2AALDH1A1CYP3A4
SCHEMBL29965062 0.77 CYP1A2 (0.46) MAPTALDH1A1CYP3A4CYP1A2SMN1; SMN2
SCHEMBL4665919 0.74 MEN1 (0.44) MAPTHTTMEN1KMT2AMITF
SCHEMBL9626194 0.74 MAPT (0.44) MAPTHTTMEN1KMT2AMITF
SCHEMBL11948736 0.74 PSMB8 (0.45) MAPTHTTMEN1KMT2AMITF
SCHEMBL11813443 0.72 ALDH1A1 (0.42) MAPTHTTMEN1KMT2AMITF
SCHEMBL25344763 0.72 GAA (0.38) MAPTHTTMEN1KMT2AALDH1A1

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-4366321-A Preparation of 2-halo-3-nitro-5-acyl thiophenes and intermediate compounds EASTMAN KODAK COMPANY (US) 1982-12-28 US disclosed