SCHEMBL7469799

SCHEMBL7469799

CNC(=O)c1ccccc1C(=O)NCCN(c1c(Cl)c(Cl)cc2nc(OC)c(OC)nc12)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.37
UHRF1 Q96T88 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMARCA2 P51531 1/20 0.36
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
CYP2C9 P11712 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 2/20 0.33
GRIN1 Q05586 1/20 0.33
RCE1 Q9Y256 1/20 0.33
ADRA2A P08913 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
SCHEMBL7472397 0.86 GRIN1 (0.35) ALDH1A1SMN1; SMN2MAPTLMNAGRIN1
SCHEMBL8645693 0.84 KMT2A (0.32) ALDH1A1SMN1; SMN2PDCD1LG2CD274PKM
SCHEMBL8930335 0.79 GRIN1 (0.38) CD274GRIN1
SCHEMBL8650855 0.78 GRIN1 (0.42) PKMGRIN1KMT2A
SCHEMBL7470542 0.76 GRIN1 (0.39) PKMGRIN1KMT2A
SCHEMBL8488510 0.75 GRIN1 (0.49) ALDH1A1SMN1; SMN2KDM4EMAPTPKM
SCHEMBL7467566 0.75 GRIN1 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTPKM
SCHEMBL8649190 0.75 GRIN1 (0.34) ALDH1A1PDCD1LG2CD274MAPTPKM
SCHEMBL7476576 0.74 GRIN1 (0.35) GRIN1
SCHEMBL8489890 0.74 GRIN1 (0.37) ALDH1A1KDM4EMAPTPKMLMNA

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 2 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