SCHEMBL7084060

SCHEMBL7084060

COc1ccccc1Nc1n[nH]c(Sc2ccc(Br)s2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
GAA P10253 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PKM P14618 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EGFR P00533 1/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 1/20 0.43
IGF1R P08069 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LRRK2 Q5S007 1/20 0.40
MAPK10 P53779 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL6980038 0.87 ALDH1A1 (0.45) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7090424 0.86 ALDH1A1 (0.49) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7080965 0.85 SMN1; SMN2 (0.41) SMN1; SMN2PKMIGF1RLMNANPSR1
SCHEMBL5381720 0.83 ALDH1A1 (0.41) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7084013 0.81 ALDH1A1 (0.48) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7088057 0.81 EGFR (0.44) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7083252 0.77 EGFR (0.46) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7087949 0.77 EGFR (0.48) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL6976057 0.76 MAPT (0.45) ALDH1A1GAAPOLBKDM4ESMN1; SMN2
SCHEMBL7085921 0.75 CDC7 (0.38) SMN1; SMN2MAPTKMT2ALMNARAB9A

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