SCHEMBL8645693

SCHEMBL8645693

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
PDCD1LG2 Q9BQ51 3/20 0.31
CD274 Q9NZQ7 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRIN1 Q05586 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 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
SCHEMBL8649190 0.85 GRIN1 (0.34) KMT2AMEN1PKMPDCD1LG2CD274
SCHEMBL7469799 0.84 RAD52 (0.37) KMT2APKMPDCD1LG2CD274ALDH1A1
SCHEMBL7471934 0.76 GRIN1 (0.50) KMT2AMEN1PKMALDH1A1GRIN1
SCHEMBL7470510 0.74 RAB9A (0.46) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL8489890 0.74 GRIN1 (0.37) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL7472397 0.73 GRIN1 (0.35) KMT2AALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL8488510 0.73 GRIN1 (0.49) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL7467566 0.73 GRIN1 (0.39) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL8649192 0.73 PDCD1LG2 (0.41) PDCD1LG2CD274ALDH1A1
SCHEMBL8650855 0.72 GRIN1 (0.42) KMT2AMEN1PKMGRIN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852016-A Quinoxaline derivatives useful in therapy PFIZER INC. (US) 1998-12-22 US disclosed