SCHEMBL8567412

SCHEMBL8567412

O=[C]CCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
CYP1A2 P05177 1/20 0.45
NCF1 P14598 1/20 0.44
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39

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
SCHEMBL8688643 0.81 LOXL2 (0.58) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6966651 0.79 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6809997 0.79 LOXL2 (0.47) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL2333461 0.77 LOXL2 (0.62) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL2331919 0.77 LOXL2 (0.62) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL28145916 0.76 LOXL2 (0.56) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL7747842 0.76 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL6223283 0.76 LOXL2 (0.71) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL4818347 0.76 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D
SCHEMBL528996 0.76 LOXL2 (0.60) LOXL2CYP1A2NCF1HTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747466-A NO ANTIBIOTIC RESISTANCE ABBOTT LABORATORIES (US) 1998-05-05 US disclosed