SCHEMBL11501388

SCHEMBL11501388

Cc1ccc(Nc2cccc3cc(O)cc(S(=O)(=O)O)c23)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NFKBIA P25963 1/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
RELA Q04206 1/20 0.44
KCNMA1 Q12791 3/20 0.42
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
KAT2B Q92831 2/20 0.40
TTR P02766 1/20 0.39
FABP4 P15090 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK14 Q16539 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
SCHEMBL11501387 0.82 ALDH1A1 (0.45) MEN1KMT2ATDP1L3MBTL1MAPT
SCHEMBL11425185 0.82 KCNMA1 (0.46) MEN1KMT2ATDP1NFKBIAAGTR1
SCHEMBL11425182 0.76 MAPT (0.57) MEN1KMT2ATDP1POLBMAPT
SCHEMBL10628268 0.75 NT5E (0.52) MEN1KMT2ATDP1KCNMA1POLB
SCHEMBL10709854 0.74 TDP1 (0.46) MEN1KMT2ATDP1POLBL3MBTL1
SCHEMBL11501439 0.72 SNCA (0.50) MEN1KMT2AKCNMA1MAPTSMN1; SMN2
SCHEMBL11430987 0.72 KDR (0.40) MEN1KMT2APOLBMAPTLMNA
SCHEMBL10823618 0.72 TTR (0.39) MEN1KMT2ATDP1POLBMAPT
SCHEMBL13588699 0.71 TDP1 (0.54) MEN1KMT2ATDP1KCNMA1POLB
SCHEMBL11439481 0.71 CD40 (0.68) MEN1KMT2APOLBMAPTLMNA

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-4216166-A Nitro precursors to amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 US disclosed