SCHEMBL7370255

SCHEMBL7370255

CC(C)(C)OC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])cc2[nH]nc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
P2RX1 P51575 1/20 0.46
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
DHODH Q02127 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7365270 0.90 ALDH1A1 (0.47) KMT2AMEN1P2RX1ALDH1A1RAB9A
SCHEMBL7365516 0.85 FADS1 (0.47) P2RX1ALDH1A1RAB9AGAA
SCHEMBL7368382 0.80 NR1H4 (0.55) ALDH1A1RAB9AGLAL3MBTL1
SCHEMBL7370817 0.80 HTT (0.51) KMT2AMEN1P2RX1ALDH1A1RAB9A
SCHEMBL7372800 0.77 NR3C2 (0.35) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL7364732 0.74 P2RX1 (0.43) KMT2AMEN1P2RX1ALDH1A1RAB9A
SCHEMBL7369726 0.74 HTT (0.53) KMT2AMEN1P2RX1ALDH1A1RAB9A
SCHEMBL7832087 0.72 AR (0.40) ALDH1A1LMNAGAACYP1A2
SCHEMBL31150407 0.71 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA
SCHEMBL4748764 0.71 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9ALMNA

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