SCHEMBL7370817

SCHEMBL7370817

CC(C)(C)OC(=O)c1n[nH]c2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
KMT2A Q03164 8/20 0.48
MEN1 O00255 6/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MAPT P10636 2/20 0.46
CASP3 P42574 1/20 0.46
P2RX1 P51575 1/20 0.45
THRB P10828 1/20 0.45
FLT3 P36888 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 1/20 0.43

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 0.88 MEN1 (0.53) KMT2AMEN1RAB9AALDH1A1LMNA
SCHEMBL7367473 0.85 SMN1; SMN2 (0.46) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7366495 0.85 FLT3 (0.45) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7367977 0.84 JAK2 (0.46) RAB9AALDH1A1LMNAP2RX1FLT3
SCHEMBL7365270 0.80 ALDH1A1 (0.47) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7366169 0.80 FLT3 (0.43) ALDH1A1LMNASMN1; SMN2FLT3
SCHEMBL7370255 0.80 KMT2A (0.46) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7373717 0.80 NR1H4 (0.57) SMN1; SMN2THRBFLT3
SCHEMBL7371977 0.79 NR1H4 (0.46) SMN1; SMN2THRBFLT3
SCHEMBL7369726 0.79 HTT (0.53) HTTKMT2AMEN1RAB9AALDH1A1

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