SCHEMBL7472769

SCHEMBL7472769

COc1nc2cc(Br)c(Br)c(NS(C)(=O)=O)c2nc1OC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.33
PIK3CD O00329 6/20 0.32
PIK3CA P42336 3/20 0.32
GLA P06280 2/20 0.32
PIK3CB P42338 2/20 0.32
PIK3CG P48736 2/20 0.32
TP53 P04637 2/20 0.32
NPY1R P25929 2/20 0.32
SLC22A1 O15245 1/20 0.32
ABCC4 O15439 1/20 0.32
KDM1A O60341 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
TOP1 P11387 1/20 0.32
TOP2A P11388 1/20 0.32
CYP2C9 P11712 1/20 0.32
DRD2 P14416 1/20 0.32

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
SCHEMBL7468982 0.79 ALDH1A1 (0.45) PIK3CDPIK3CAGLAPIK3CBPIK3CG
SCHEMBL7467654 0.78 NPY1R (0.37) PIK3CDPIK3CAGLAPIK3CBPIK3CG
SCHEMBL7466587 0.78 CCR4 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGNPY1R
SCHEMBL7476942 0.77 ALDH1A1 (0.38) PIK3CDPIK3CAPIK3CBPIK3CGTP53
SCHEMBL7468793 0.77 CCR4 (0.36) PIK3CDPIK3CAPIK3CBPIK3CGNPY1R
SCHEMBL7475650 0.76 CCR4 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGHSD17B10
SCHEMBL7475628 0.75 NQO2 (0.33) NQO2HSD17B10KMT2AKDM4EMEN1
SCHEMBL7465420 0.75 SMN1; SMN2 (0.33) PIK3CDPIK3CAGLAPIK3CBPIK3CG
SCHEMBL7470948 0.74 GLP1R (0.33) PIK3CANPY1RHIF1AHSD17B10CCR4
SCHEMBL8935311 0.72 SMN1; SMN2 (0.32) PIK3CANPY1RHIF1ACCR4ALDH1A1

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-0783495-B1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LTD (GB) 2002-02-27 EP disclosed
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed
EP-0783495-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY Pfizer Limited (GB) 1997-07-16 EP disclosed
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed