SCHEMBL7472397

SCHEMBL7472397

CNC(=O)NCCN(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.35
MTNR1A P48039 2/20 0.32
LMNA P02545 2/20 0.32
MTNR1B P49286 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.31
GLP1R P43220 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7469799 0.86 RAD52 (0.37) GRIN1LMNAMAPTALDH1A1KMT2A
SCHEMBL8930335 0.85 GRIN1 (0.38) GRIN1GLP1R
SCHEMBL8650855 0.83 GRIN1 (0.42) GRIN1RAB9AGLP1RKMT2A
SCHEMBL7470510 0.81 RAB9A (0.46) GRIN1LMNAMAPTRAB9AALDH1A1
SCHEMBL7470542 0.81 GRIN1 (0.39) GRIN1GLP1RKMT2A
SCHEMBL7467566 0.80 GRIN1 (0.39) GRIN1LMNAMAPTRAB9AALDH1A1
SCHEMBL8488510 0.80 GRIN1 (0.49) GRIN1MAPTRAB9AALDH1A1KMT2A
SCHEMBL8649190 0.80 GRIN1 (0.34) GRIN1LMNAMAPTRAB9AALDH1A1
SCHEMBL8490082 0.79 GRIN1 (0.37) GRIN1LMNAMAPTRAB9AALDH1A1
SCHEMBL8489890 0.79 GRIN1 (0.37) GRIN1LMNAMAPTRAB9AALDH1A1

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