SCHEMBL2162012

SCHEMBL2162012

CCCCCCn1c(-c2ccc(OC)cc2)cnc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.69
ALOX15 P16050 1/20 0.69
MAPT P10636 4/20 0.61
TLR8 Q9NR97 5/20 0.54
PDE4B Q07343 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
USP2 O75604 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMPD1 P17405 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FYN P06241 1/20 0.42

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
SCHEMBL22560059 0.85 USP2 (0.57) TDP1ALOX15MAPTTLR8ALDH1A1
SCHEMBL22560057 0.83 TDP1 (0.65) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL2163633 0.79 LMNA (0.49) TDP1ALOX15MAPTALDH1A1LMNA
SCHEMBL2162368 0.79 TDP1 (0.51) TDP1ALOX15MAPTTLR8ALDH1A1
SCHEMBL6287258 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL6287320 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL6286533 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL6287191 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL6287779 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B
SCHEMBL6287907 0.76 PDE4B (0.50) TDP1ALOX15MAPTTLR8PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513064-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-10-24 EP claimed
WO-2011080132-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-07-07 WO claimed