SCHEMBL7089876

SCHEMBL7089876

Cc1ccccc1Nc1n[nH]c(Sc2sccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
METAP2 P50579 5/20 0.40
CCR4 P51679 1/20 0.39
LRRK2 Q5S007 1/20 0.37
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MAPK10 P53779 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 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
SCHEMBL7085330 0.89 LRRK2 (0.43) SMN1; SMN2HTTNPSR1LMNAMETAP2
SCHEMBL6976057 0.87 MAPT (0.45) SMN1; SMN2HTTNPSR1LMNALRRK2
SCHEMBL6975744 0.87 METAP2 (0.42) SMN1; SMN2HTTNPSR1LMNAMETAP2
SCHEMBL7087201 0.81 RAB9A (0.42) SMN1; SMN2LMNAMETAP2CCNA2CDK2
SCHEMBL5381220 0.80 METAP2 (0.43) SMN1; SMN2HTTNPSR1LMNAMETAP2
SCHEMBL7087580 0.80 CDK2 (0.46) SMN1; SMN2HTTLMNACCR4CCNA2
SCHEMBL6975691 0.79 SYK (0.41) SMN1; SMN2LMNACDK2NPC1RAB9A
SCHEMBL7083292 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HTTNPSR1LMNAMETAP2
SCHEMBL7089232 0.77 PKM (0.42) SMN1; SMN2HTTNPSR1LMNAMETAP2
SCHEMBL7080965 0.77 SMN1; SMN2 (0.41) SMN1; SMN2HTTNPSR1LMNAMETAP2

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