SCHEMBL7087201

SCHEMBL7087201

Cc1ccc(Nc2n[nH]c(Sc3sccc3C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.38
METAP2 P50579 4/20 0.37
JAK2 O60674 1/20 0.37
POLB P06746 1/20 0.36
GFER P55789 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6975691 0.90 SYK (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7084581 0.88 NPC1 (0.40) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7087580 0.85 CDK2 (0.46) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7089876 0.81 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5371816 0.79 METAP2 (0.42) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6976057 0.76 MAPT (0.45) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL6975744 0.76 METAP2 (0.42) NPC1SMN1; SMN2LMNAMETAP2CCNA2
SCHEMBL7083924 0.76 MAPT (0.44) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7090147 0.75 SYK (0.41) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL7087036 0.75 MAPT (0.45) RAB9ANPC1MAPTMEN1KMT2A

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