SCHEMBL8968903

SCHEMBL8968903

N#Cc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.59
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LRRK2 Q5S007 1/20 0.53
VCAM1 P19320 2/20 0.53
HPSE Q9Y251 1/20 0.52
TDP1 Q9NUW8 2/20 0.49
TTR P02766 1/20 0.49
ALB P02768 1/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSPB1 P04792 2/20 0.47
PDE7A Q13946 1/20 0.46
ESRRA P11474 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 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
SCHEMBL810366 0.86 MERTK (0.60) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL2826350 0.83 MERTK (0.60) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL694473 0.83 HTT (0.54) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL2030257 0.83 MERTK (0.53) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL18973568 0.82 VCAM1 (0.47) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL27729647 0.82 MERTK (0.67) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL1340217 0.82 MERTK (0.62) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL1341420 0.82 L3MBTL1 (0.64) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL890756 0.81 KMT2A (0.50) MERTKMEN1KMT2ALRRK2VCAM1
SCHEMBL9507369 0.81 MAPT (0.68) MERTKMEN1KMT2ALRRK2TTR

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-118388379-A Organic total synthesis method of nimesulide derivative 大连理工大学 2024-07-26 CN disclosed
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP disclosed