SCHEMBL7471483

SCHEMBL7471483

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
GLP1R P43220 2/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TLR9 Q9NR96 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
ARNT P27540 5/20 0.34
EPAS1 Q99814 5/20 0.34
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL5722680 0.83 TSHR (0.55) ALDH1A1TSHRGLP1RDCTPP1
SCHEMBL7469633 0.81 TSHR (0.39) ALDH1A1TSHRGLP1RLMNAMAPT
SCHEMBL7472156 0.81 GRIN2D (0.43) ALDH1A1TSHRGLP1RLMNAMAPT
SCHEMBL7472466 0.80 GLP1R (0.46) ALDH1A1TSHRGLP1RLMNAMAPT
SCHEMBL7528422 0.77 GRIN2D (0.47) ALDH1A1TSHRGLP1RLMNAMAPT
SCHEMBL8596722 0.74 TSHR (0.60) ALDH1A1TSHRLMNAMAPTNPC1
SCHEMBL7471616 0.74 KCNH2 (0.38) ALDH1A1TSHRGLP1R
SCHEMBL7472075 0.74 MEN1 (0.48) ALDH1A1TSHRGLP1RMAPTSMN1; SMN2
SCHEMBL7464208 0.74 GRIN2D (0.43) ALDH1A1TSHRGLP1RMAPTMEN1
SCHEMBL7472189 0.74 EPAS1 (0.40) ALDH1A1TSHRGLP1RHPGDARNT

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