SCHEMBL7084630

SCHEMBL7084630

Cc1ccc(Nc2n[nH]c(Sc3ccc(Cl)s3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
CASP3 P42574 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
GAA P10253 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.39
PDE4B Q07343 1/20 0.36
MAPK1 P28482 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL6985036 0.87 PDE4B (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7083924 0.87 MAPT (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7088943 0.86 MAPT (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7088195 0.85 NFKB1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7090107 0.85 NPC1 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5380332 0.81 METAP2 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7089232 0.80 PKM (0.42) NPC1RAB9ASMN1; SMN2LMNACDK2
SCHEMBL7084581 0.78 NPC1 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7087741 0.77 CDK2 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7090424 0.75 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP claimed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP claimed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO claimed
EP-1223932-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1223932-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2002-07-24 EP disclosed
WO-2001024796-A1 1,2,4-TRIAZOLE DERIVATIVES, COMPOSITION, PROCESS OF MAKING AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-04-12 WO disclosed