SCHEMBL7369726

SCHEMBL7369726

CC(C)(C)OC(=O)c1cc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP3 P42574 1/20 0.47
P2RX1 P51575 1/20 0.47
THRB P10828 1/20 0.46
NPC1 O15118 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL7365818 0.84 SCN3A (0.46) RAB9ASMN1; SMN2LMNAP2RX1NPC1
SCHEMBL6177517 0.82 MAPT (0.42) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL7370817 0.79 HTT (0.51) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7370555 0.79 NR1H4 (0.59) SMN1; SMN2THRB
SCHEMBL7368037 0.78 HPGD (0.51) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7368569 0.77 RXFP1 (0.55) KMT2AMEN1RAB9ACASP3NPC1
SCHEMBL7367665 0.77 RAB9A (0.48) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7078738 0.76 ALDH1A1 (0.61) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL7365267 0.75 HRH4 (0.55) HTTKMT2AMEN1RAB9AALDH1A1
SCHEMBL5087407 0.75 LEF1 (0.55) KMT2AMEN1RAB9AALDH1A1MAPT

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
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed