SCHEMBL7083578

SCHEMBL7083578

Fc1ccc(Nc2n[nH]c(Sc3ccsc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
SYK P43405 1/20 0.38
KCNH3 Q9ULD8 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 1/20 0.38
CTSC P53634 1/20 0.37
CDC7 O00311 2/20 0.36
CDK2 P24941 1/20 0.36
TXN P10599 1/20 0.35
SGK1 O00141 1/20 0.35
DYRK3 O43781 1/20 0.35
EIF4E P06730 1/20 0.35
EIF2AK2 P19525 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
SCHEMBL7088181 0.86 GAA (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL5384683 0.80 KCNH3 (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7085921 0.78 CDC7 (0.38) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7089907 0.78 NFKB1 (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6975691 0.76 SYK (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7090147 0.76 SYK (0.41) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL6985036 0.75 PDE4B (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7087741 0.75 CDK2 (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7088057 0.74 EGFR (0.44) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL7089030 0.74 KCNH3 (0.46) NPC1RAB9AMEN1KMT2ALMNA

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