SCHEMBL7471616

SCHEMBL7471616

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.38
FLT3 P36888 2/20 0.38
NQO2 P16083 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLP1R P43220 1/20 0.34

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
SCHEMBL25096120 0.79 TSHR (0.38) NQO2TSHRALDH1A1GLP1R
SCHEMBL5722680 0.77 TSHR (0.55) TSHRALDH1A1GLP1R
SCHEMBL7472075 0.74 MEN1 (0.48) TSHRALDH1A1GLP1R
SCHEMBL7464208 0.74 GRIN2D (0.43) TSHRALDH1A1GLP1R
SCHEMBL7471483 0.74 ALDH1A1 (0.39) TSHRALDH1A1GLP1R
SCHEMBL7469633 0.74 TSHR (0.39) TSHRALDH1A1GLP1R
SCHEMBL7472156 0.74 GRIN2D (0.43) TSHRALDH1A1GLP1R
SCHEMBL7472189 0.74 EPAS1 (0.40) TSHRALDH1A1GLP1R
SCHEMBL7476375 0.72 GRIN2D (0.46) TSHRALDH1A1GLP1R
SCHEMBL7472466 0.71 GLP1R (0.46) TSHRALDH1A1GLP1R

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