SCHEMBL7657936

SCHEMBL7657936

COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
ABCB1 P08183 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCC1 P33527 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDK1 Q15118 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 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
SCHEMBL27775659 0.89 SMN1; SMN2 (0.53) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL6948699 0.81 SMN1; SMN2 (0.50) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL6948863 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL7656050 0.78 KDM4E (0.51) SMN1; SMN2POLBKDM4EL3MBTL1MAPK1
SCHEMBL6953716 0.78 PDE5A (0.44) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL31451828 0.77 SMN1; SMN2 (0.49) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL5963109 0.76 PKM (0.59) PKMKMT2AMEN1CYP3A4HTT
SCHEMBL29033623 0.75 PKM (0.50) SMN1; SMN2POLBPKMKMT2AMEN1
SCHEMBL29033599 0.75 KDM4E (0.54) POLBPKMKMT2AMEN1CYP3A4
SCHEMBL17934386 0.73 EGFR (0.45) SMN1; SMN2POLBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed