SCHEMBL7367473

SCHEMBL7367473

COc1cccc(C(=O)Nc2ccc3c(C(=O)OC(C)(C)C)n[nH]c3c2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
FLT3 P36888 3/20 0.44
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NTRK1 P04629 1/20 0.43
NTRK2 Q16620 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
RAC1 P63000 1/20 0.40
GAA P10253 2/20 0.40
CDK2 P24941 1/20 0.40
MAPK1 P28482 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
SCHEMBL7371218 0.90 MEN1 (0.53) SMN1; SMN2RAB9AFLT3KMT2AMEN1
SCHEMBL7368010 0.88 FLT3 (0.46) SMN1; SMN2RAB9AFLT3KMT2AALDH1A1
SCHEMBL7370817 0.85 HTT (0.51) SMN1; SMN2RAB9AFLT3KMT2AMEN1
SCHEMBL7369592 0.81 NR1H4 (0.50) SMN1; SMN2FLT3NTRK1NTRK2MAPT
SCHEMBL7366495 0.80 FLT3 (0.45) SMN1; SMN2RAB9AFLT3KMT2AMEN1
SCHEMBL7367977 0.80 JAK2 (0.46) RAB9AFLT3ALDH1A1NTRK1NTRK2
SCHEMBL7366169 0.79 FLT3 (0.43) SMN1; SMN2FLT3ALDH1A1LMNACDK2
SCHEMBL7368426 0.77 NPC1 (0.54) RAB9AFLT3KMT2AMEN1NPC1
SCHEMBL7371977 0.77 NR1H4 (0.46) SMN1; SMN2FLT3KCNK9
SCHEMBL7366476 0.76 HPGD (0.49) SMN1; SMN2RAB9AKMT2AMEN1ALDH1A1

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