SCHEMBL4584523

SCHEMBL4584523

Nc1ccc([N+](=O)[O-])c(Br)c1Br

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 5/20 0.50
CYP3A4 P08684 3/20 0.50
MAPT P10636 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.50
LMNA P02545 3/20 0.43
CTSB P07858 1/20 0.42
GPR35 Q9HC97 2/20 0.41
PKM P14618 1/20 0.40
PDE7A Q13946 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11048248 0.85 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL10825686 0.83 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL27916755 0.82 TDP1 (0.47) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL2036132 0.81 TDP1 (0.50) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL30771201 0.79 TDP1 (0.43) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL9314849 0.77 TDP1 (0.42) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL4582709 0.74 SMN1; SMN2 (0.52) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL8330662 0.74 CYP1A2 (0.52) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL6978734 0.74 TDP1 (0.50) ALDH1A1TDP1CYP3A4MAPTTSHR
SCHEMBL11108047 0.73 TDP1 (0.54) ALDH1A1TDP1CYP3A4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61223040-A None JP disclosed
US-20080178757-A1 PYROTECHNIC CHARGE DIEHL BGT DEFENCE GMBH & CO., KG (DE) 2008-07-31 US disclosed
EP-1876161-A1 Pyrotechnical charge Diehl BGT Defence GmbH & Co.KG (DE) 2008-01-09 EP disclosed
US-4764537-A KETIMINE, ALDIMINE, ENAMINE OR CYCLIC SCHIFF BASE, METAL SALT OF CARBOXYLIC ACID BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
JP-S61223040-A MATERIAL FOR COLORING RESIN MITSUI TOATSU CHEM INC 1986-10-03 JP disclosed