SCHEMBL7366346

SCHEMBL7366346

Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 1/20 1.00
GAA P10253 4/20 0.64
ALDH3A1 P30838 4/20 0.62
HTT P42858 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
POLB P06746 2/20 0.62
NOD1 Q9Y239 1/20 0.62
ALDH1A1 P00352 3/20 0.60
TSHR P16473 2/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
ALOX5 P09917 1/20 0.54
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50

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
SCHEMBL3471718 0.80 MET (0.70) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL3470648 0.80 ALOX5 (0.75) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL14601697 0.79 ALDH3A1 (0.68) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL8329551 0.77 ALDH3A1 (1.00) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL17960655 0.75 HTT (0.69) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL11610961 0.75 GAA (1.00) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL422055 0.74 ALDH3A1 (0.77) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL6643008 0.73 ALDH3A1 (0.63) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL8599875 0.73 POLB (0.65) KMT2AMEN1GAAALDH3A1HTT
SCHEMBL12748302 0.73 AKR1C3 (0.61) KMT2AMEN1L3MBTL1LMNAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019045-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-03 EP disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed