SCHEMBL6948699

SCHEMBL6948699

COC(=O)c1c([N+](=O)[O-])cc(OC)c(OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
DBH P09172 1/20 0.45
TPMT P51580 1/20 0.44
PKM P14618 1/20 0.44
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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 0.88 SMN1; SMN2 (0.53) SMN1; SMN2TPMTPKMABCB1ABCC1
SCHEMBL31451828 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TPMTPKMABCB1ABCC1
SCHEMBL7657936 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PKMABCB1ABCC1MEN1
SCHEMBL6948863 0.80 SMN1; SMN2 (0.44) SMN1; SMN2DBHPKMABCB1ABCC1
SCHEMBL2908769 0.78 PKM (0.51) SMN1; SMN2DBHTPMTPKMMAPT
SCHEMBL6902580 0.77 KMT2A (0.58) SMN1; SMN2ABCB1ABCC1MEN1KMT2A
SCHEMBL8462586 0.77 TPMT (0.59) DBHTPMTPKMABCB1ABCC1
SCHEMBL5963109 0.77 PKM (0.59) TPMTPKMABCB1ABCC1MEN1
SCHEMBL30740961 0.77 TPMT (0.59) DBHTPMTPKMABCB1ABCC1
SCHEMBL6953716 0.77 PDE5A (0.44) SMN1; SMN2PKMABCB1ABCC1MEN1

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-0887344-B1 Quinolines and quinazolines useful in therapy PFIZER LTD (GB) 2003-12-03 EP disclosed
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