SCHEMBL8964813

SCHEMBL8964813

COc1cc(-c2ccccc2)c([N+](=O)[O-])cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.46
ABCB1 P08183 4/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
S1PR1 P21453 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CTSB P07858 1/20 0.42
ABCC1 P33527 1/20 0.42
MAPK1 P28482 1/20 0.42
CHEK1 O14757 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4591818 0.89 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1ABCB1MEN1
SCHEMBL17670218 0.84 TDP1 (0.50) ALDH1A1TDP1L3MBTL1ABCB1MEN1
SCHEMBL5068702 0.82 ALDH1A1 (0.56) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL4103425 0.79 MAPT (0.49) ALDH1A1TDP1L3MBTL1MEN1POLB
SCHEMBL5069290 0.78 TDP1 (0.51) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL32662713 0.78 ALDH1A1 (0.51) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL28827487 0.78 ALDH1A1 (0.51) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL15461976 0.78 ALDH1A1 (0.69) ALDH1A1TDP1MEN1POLBMAPT
SCHEMBL8502642 0.77 PGR (0.49) ALDH1A1POLBMAPTCYP3A4TSHR
SCHEMBL22007056 0.76 ALDH1A1 (0.67) ALDH1A1TDP1MEN1POLBMAPT

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-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed