SCHEMBL7465352

SCHEMBL7465352

COc1nc2cc(C(F)(F)F)c(Cl)c([N+](=O)[O-])c2nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 3/20 0.40
VEGFA P15692 1/20 0.40
KIF11 P52732 5/20 0.35
GLP1R P43220 2/20 0.34
MAPT P10636 4/20 0.33
DCTPP1 Q9H773 1/20 0.33
ARNT P27540 1/20 0.32
ALDH1A1 P00352 3/20 0.31
CYP3A4 P08684 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
TXNRD1 Q16881 1/20 0.31
TXNRD3 Q86VQ6 1/20 0.31
TXNRD2 Q9NNW7 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL7472951 0.90 EPAS1 (0.39) EPAS1VEGFAKIF11GLP1RMAPT
SCHEMBL7471923 0.84 GLP1R (0.41) EPAS1VEGFAGLP1RMAPTDCTPP1
SCHEMBL7466999 0.81 AURKA (0.32) CYP3A4CYP1A2CYP2C19
SCHEMBL7472189 0.79 EPAS1 (0.40) EPAS1VEGFAKIF11GLP1RDCTPP1
SCHEMBL7468210 0.75 CCR4 (0.36) KIF11GLP1R
SCHEMBL7477664 0.74 KDM4E (0.30) MAPTKDM4E
SCHEMBL7476184 0.73 GLP1R (0.44) EPAS1GLP1RMAPTDCTPP1ARNT
SCHEMBL7678635 0.73 GLP1R (0.50) GLP1RDCTPP1TSHRMEN1KMT2A
SCHEMBL11082077 0.68 KIF11 (0.52) EPAS1VEGFAKIF11MAPTALDH1A1
SCHEMBL32668948 0.68 TSHR (0.46) EPAS1VEGFAKIF11MAPTALDH1A1

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