SCHEMBL7678666

SCHEMBL7678666

COc1nc2cc(Cl)c(Cl)c(-c3nn(CCOC(c4ccccc4)(c4ccccc4)c4ccccc4)nc3-c3ccccc3)c2nc1OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.33
MAPT P10636 1/20 0.31
NR1I3 Q14994 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7673858 0.84 RORC (0.31) RORCNR1I3
SCHEMBL7672900 0.84 RORC (0.31) RORCNR1I3NPC1NFKB1RAB9A
SCHEMBL7680558 0.83 SMN1; SMN2 (0.37) RORCMAPTNR1I3NPC1NFKB1
SCHEMBL7681595 0.72 NR1I3 (0.37) RORCMAPTNR1I3NPC1NFKB1
SCHEMBL7683114 0.72 SMN1; SMN2 (0.38) RORCMAPTNR1I3NPC1NFKB1
SCHEMBL27476598 0.70 SMN1; SMN2 (0.39) RORCMAPTNR1I3NPC1NFKB1
SCHEMBL7675073 0.69 NPC1 (0.36) MAPTNR1I3NPC1NFKB1RAB9A
SCHEMBL7682758 0.65 CYP11B2 (0.46) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7676130 0.64 MAPT (0.40) RORCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7676249 0.64 HRH4 (0.36)

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
US-6376490-B1 STRONG N-METHYL-D-ASPARATE RECEPTOR ANTAGONISTS; USEFUL IN TREATING STROKES, ISCHEMIA, AND CENTRAL NERVOUS SYSTEM INJURIES PFIZER INC 2002-04-23 US disclosed
EP-0885212-B1 QUINOXALINEDIONES PFIZER RES AND BR DEV COMPANY (IE) 2001-11-14 EP disclosed
EP-0885212-A1 QUINOXALINEDIONES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-23 EP disclosed
WO-1997032873-A1 QUINOXALINEDIONES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-09-12 WO disclosed