SCHEMBL8763565

SCHEMBL8763565

NC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.60
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ALOX5 P09917 2/20 0.49
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42

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
SCHEMBL8374420 0.87 CASR (0.67) CASRMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL711162 0.84 SMN1; SMN2 (0.58) CASRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27484718 0.83 POLB (0.55) MEN1KMT2ASMN1; SMN2CYP3A4MAPT
SCHEMBL11582892 0.81 MEN1 (0.70) CASRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL26496477 0.81 MEN1 (0.75) CASRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3828194 0.80 L3MBTL1 (0.57) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL28837773 0.80 CYP3A4 (0.63) CASRMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL14574199 0.80 MEN1 (0.56) CASRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11632076 0.79 NAMPT (0.60) CASRMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11632613 0.79 CASR (0.55) CASRMEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1164225-A Iodinated X-ray-contrast media NYCOMED IMAGING AS (NO) 1997-11-05 CN disclosed
EP-0782565-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1997-07-09 EP disclosed
WO-1996009285-A1 IODINATED X-RAY-CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1996-03-28 WO disclosed