SCHEMBL8930645

SCHEMBL8930645

COc1nc2cc(Cl)c(C)c(N(CCNS(=O)(=O)C(F)(F)F)S(C)(=O)=O)c2nc1OC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.36
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8930635 0.89 GRIN1 (0.36) GRIN1HTTMEN1KMT2A
SCHEMBL8487399 0.81 GRIN1 (0.40) GRIN1MEN1KMT2A
SCHEMBL8930335 0.80 GRIN1 (0.38) GRIN1
SCHEMBL8485007 0.78 RAB9A (0.48) GRIN1MEN1KMT2AKDM4EMAPT
SCHEMBL8489271 0.74 GRIN1 (0.37) GRIN1MEN1KMT2AKDM4EMAPT
SCHEMBL7471711 0.72 GRIN1 (0.39) GRIN1KDM4EMAPTALDH1A1
SCHEMBL8650855 0.72 GRIN1 (0.42) GRIN1MEN1KMT2A
SCHEMBL7470542 0.72 GRIN1 (0.39) GRIN1MEN1KMT2A
SCHEMBL7472397 0.72 GRIN1 (0.35) GRIN1KMT2AMAPTALDH1A1
SCHEMBL8524581 0.72 MCL1 (0.34) GRIN1

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
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed