SCHEMBL7900296

SCHEMBL7900296

O=C(O)C(Br)=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.54
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
BCHE P06276 1/20 0.47
MAOB P27338 1/20 0.47
APP P05067 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
CES1 P23141 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
BRAF P15056 1/20 0.45
CES2 O00748 1/20 0.44
SRD5A2 P31213 1/20 0.44

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
SCHEMBL481147 0.82 AKR1C3 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL52681 0.82 AKR1C3 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL17009045 0.82 AKR1C3 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1093526 0.81 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL14477222 0.81 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1856375 0.81 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL1093528 0.81 FBP1 (0.58) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3109674 0.81 FBP1 (0.61) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8664855 0.79 FBP1 (0.51) FBP1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL38655937 0.79 CES1 (0.63) FBP1ALDH1A1MAPTSMN1; SMN2TDP1

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-6319674-B1 IMMOBILIZATION ON SURFACE WITH AMINES AND HYDROXY GROUPS AGILENT TECHNOLOGIES, INC. 2001-11-20 US disclosed