SCHEMBL6945929

SCHEMBL6945929

CC(C)(C)OC(=O)c1ccc(CNCCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
NTSR1 P30989 1/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.44
SLC7A5 Q01650 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
SCHEMBL6378072 0.92 ALDH1A1 (0.51) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL7515852 0.84 KMT2A (0.59) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL6654022 0.83 POLB (0.43) ALDH1A1KMT2ANPC1RAB9APKM
SCHEMBL7549965 0.83 THRB (0.51) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6656269 0.83 SLC7A5 (0.45) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL27417336 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL7443550 0.81 VCAM1 (0.46) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL4025027 0.81 KMT2A (0.50) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL7443631 0.79 VCAM1 (0.44) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL6952927 0.79 ALDH1A1 (0.47) ALDH1A1KMT2ANPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674623-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-04-09 EP disclosed
EP-0593603-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6127359-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-10-03 US disclosed
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed
EP-0593603-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-04-27 EP disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed