SCHEMBL2163633

SCHEMBL2163633

CCCCCn1c(-c2ccc([N+](=O)[O-])cc2)cnc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
APOBEC3G Q9HC16 2/20 0.49
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
ALOX15 P16050 1/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CNR1 P21554 2/20 0.41
ACHE P22303 2/20 0.41
CNR2 P34972 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MGLL Q99685 1/20 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
SCHEMBL22560057 0.81 TDP1 (0.65) LMNATDP1ALOX15MAPTALDH1A1
SCHEMBL22560059 0.80 USP2 (0.57) LMNATDP1ALOX15MAPTALDH1A1
SCHEMBL28138218 0.77 MAPT (0.44) LMNAAPOBEC3GTDP1ALOX15MAPT
SCHEMBL2162368 0.77 TDP1 (0.51) LMNAGLATDP1ALOX15MAPT
4-Nitroaniline SCHEMBL8748697 0.69 ALDH1A1 (0.69) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL26215154 0.68 LMNA (0.45) LMNAAPOBEC3GGLANPSR1TDP1
SCHEMBL28824386 0.67 MAPT (0.54) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10824195 0.67 RARB (0.63) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9839611 0.67 RARB (0.63) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL9839289 0.67 RARB (0.63) MAPTALDH1A1MEN1KMT2ARAB9A

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