SCHEMBL8489271

SCHEMBL8489271

COc1nc2cc(Cl)c(C)c(N(CCN3C(=O)c4ccccc4C3=O)S(C)(=O)=O)c2nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.37
PDE10A Q9Y233 1/20 0.36
MAOB P27338 5/20 0.36
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PGK1 P00558 1/20 0.34
MAPK1 P28482 3/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 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
SCHEMBL8487638 0.89 GRIN1 (0.37) GRIN1PDE10AMAOBPAX8MEN1
SCHEMBL8487399 0.80 GRIN1 (0.40) GRIN1MEN1KMT2ARAB9A
SCHEMBL8485007 0.74 RAB9A (0.48) GRIN1MEN1MAPTKMT2AKDM4E
SCHEMBL8930645 0.74 GRIN1 (0.36) GRIN1MEN1MAPTKMT2AKDM4E
SCHEMBL8650855 0.71 GRIN1 (0.42) GRIN1MEN1KMT2ARAB9A
SCHEMBL7470542 0.71 GRIN1 (0.39) GRIN1MEN1KMT2A
SCHEMBL7471711 0.69 GRIN1 (0.39) GRIN1MAPTKDM4ERAB9A
SCHEMBL8930335 0.68 GRIN1 (0.38) GRIN1
SCHEMBL8488354 0.68 GRIN1 (0.40) GRIN1MEN1KMT2ARAB9A
SCHEMBL7464603 0.67 GRIN1 (0.39) GRIN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863917-A ANXIOLYTIC AGENT, ANTICONVULSANTS, ANALGESICS AND NEUROPROTECTIVES. PFIZER, INC. (US) 1999-01-26 US disclosed
WO-1997031902-A1 QUINOXALINE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-04 WO disclosed
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed