SCHEMBL7085330

SCHEMBL7085330

Cc1ccccc1Nc1n[nH]c(Sc2sccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
METAP2 P50579 4/20 0.38
CCNA2 P20248 5/20 0.37
CDK2 P24941 5/20 0.37
CCNK O75909 3/20 0.37
CCND3 P30281 3/20 0.37
CDK9 P50750 3/20 0.37
CDK6 Q00534 3/20 0.37
CCR4 P51679 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CDK5 Q00535 1/20 0.34

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
SCHEMBL7089876 0.89 SMN1; SMN2 (0.44) LRRK2NPSR1LMNAHTTSMN1; SMN2
SCHEMBL7084460 0.85 METAP2 (0.41) SMN1; SMN2METAP2CCNKCCND3CDK9
SCHEMBL7084581 0.81 NPC1 (0.40) NPSR1LMNAHTTSMN1; SMN2METAP2
SCHEMBL5387206 0.81 METAP2 (0.41) LRRK2NPSR1LMNAHTTSMN1; SMN2
SCHEMBL7090453 0.80 NFKB1 (0.46) HTTCCNA2CDK2CCR4MAPT
SCHEMBL7089232 0.79 PKM (0.42) LRRK2NPSR1LMNAHTTSMN1; SMN2
SCHEMBL6976057 0.77 MAPT (0.45) LRRK2NPSR1LMNAHTTSMN1; SMN2
SCHEMBL6975744 0.77 METAP2 (0.42) NPSR1LMNAHTTSMN1; SMN2METAP2
SCHEMBL7090147 0.76 SYK (0.41) LMNASMN1; SMN2MAPTMAPK1NPC1
SCHEMBL7087036 0.76 MAPT (0.45) NPSR1LMNASMN1; SMN2ALDH1A1MAPT

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