SCHEMBL7472189

SCHEMBL7472189

O=[N+]([O-])c1c(Cl)c(C(F)(F)F)cc2nc(Cl)c(Cl)nc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 4/20 0.40
VEGFA P15692 1/20 0.39
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ARNT P27540 2/20 0.37
GLP1R P43220 2/20 0.37
KIF11 P52732 5/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
DCTPP1 Q9H773 3/20 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
SCHEMBL7472951 0.82 EPAS1 (0.39) EPAS1VEGFATSHRALDH1A1CYP3A4
SCHEMBL7469633 0.80 TSHR (0.39) EPAS1TSHRALDH1A1CYP3A4HPGD
SCHEMBL5722680 0.80 TSHR (0.55) TSHRALDH1A1GLP1RDCTPP1
SCHEMBL7472466 0.79 GLP1R (0.46) EPAS1TSHRALDH1A1CYP3A4HPGD
SCHEMBL7465352 0.79 EPAS1 (0.40) EPAS1VEGFATSHRALDH1A1CYP3A4
SCHEMBL7464208 0.77 GRIN2D (0.43) TSHRALDH1A1CYP3A4TDP1GLP1R
SCHEMBL7476375 0.75 GRIN2D (0.46) TSHRALDH1A1GLP1RDCTPP1
SCHEMBL7471616 0.74 KCNH2 (0.38) TSHRALDH1A1GLP1R
SCHEMBL7471483 0.74 ALDH1A1 (0.39) EPAS1TSHRALDH1A1HPGDTDP1
SCHEMBL11867053 0.73 EPAS1 (0.38) EPAS1VEGFATSHRALDH1A1CYP3A4

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
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
WO-1996009295-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER LIMITED (GB) 1996-03-28 WO disclosed