SCHEMBL2162368

SCHEMBL2162368

CCCCn1c(-c2ccc(F)cc2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
ALOX15 P16050 2/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
GLA P06280 1/20 0.47
TLR8 Q9NR97 2/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 3/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 2/20 0.42
GAA P10253 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 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
SCHEMBL22560057 0.81 TDP1 (0.65) TDP1ALOX15ALDH1A1LMNATLR8
SCHEMBL22560059 0.80 USP2 (0.57) TDP1ALOX15ALDH1A1LMNATLR8
SCHEMBL2162012 0.79 TDP1 (0.69) TDP1ALOX15ALDH1A1LMNATLR8
SCHEMBL2163633 0.77 LMNA (0.49) TDP1ALOX15ALDH1A1LMNAGLA
SCHEMBL2162636 0.76 USP2 (0.69) TDP1ALOX15ALDH1A1MAPTMEN1
SCHEMBL18794891 0.70 TDP1 (0.47) TDP1ALOX15ALDH1A1LMNAMAPT
SCHEMBL10616089 0.68 TSHR (0.58) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL594161 0.68 TSHR (0.63) TDP1ALDH1A1LMNAGAACYP1A2
SCHEMBL4560849 0.67 TSHR (0.62) TDP1ALOX15ALDH1A1TLR8MAPT
SCHEMBL15804418 0.67 USP2 (0.44) TDP1ALOX15ALDH1A1LMNATLR8

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