SCHEMBL7080965

SCHEMBL7080965

Cc1ccccc1Nc1n[nH]c(Sc2ccc(Br)s2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
IGF1R P08069 1/20 0.39
THRB P10828 1/20 0.38
METAP2 P50579 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
LRRK2 Q5S007 1/20 0.36
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 0.35
CCR4 P51679 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
SCHEMBL7083292 0.88 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNANPSR1METAP2
SCHEMBL7089232 0.85 PKM (0.42) SMN1; SMN2HTTLMNANPSR1METAP2
SCHEMBL7084060 0.85 ALDH1A1 (0.44) SMN1; SMN2HTTLMNANPSR1IGF1R
SCHEMBL5372169 0.81 METAP2 (0.41) SMN1; SMN2HTTLMNANPSR1IGF1R
SCHEMBL7090107 0.80 NPC1 (0.42) SMN1; SMN2LMNAMETAP2NPC1RAB9A
SCHEMBL7089497 0.79 PIK3CA (0.42) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL7089876 0.77 SMN1; SMN2 (0.44) SMN1; SMN2HTTLMNANPSR1IGF1R
SCHEMBL7085921 0.75 CDC7 (0.38) SMN1; SMN2LMNANPC1RAB9ACDK2
SCHEMBL7085330 0.74 LRRK2 (0.43) SMN1; SMN2HTTLMNANPSR1METAP2
SCHEMBL7083096 0.74 CCR4 (0.39) SMN1; SMN2HTTLMNANPSR1IGF1R

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