SCHEMBL5550374

SCHEMBL5550374

ONCc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
HTR1A P08908 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
CYP1A2 P05177 1/20 0.47
NCF1 P14598 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FERMT2 Q96AC1 1/20 0.45
FAAH O00519 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
ATG4B Q9Y4P1 1/20 0.43
ADORA2A P29274 1/20 0.43

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
SCHEMBL5547096 0.87 KDM4E (0.48) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14650799 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1253989 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28879838 0.81 LOXL2 (0.63) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL31599195 0.79 LOXL2 (0.67) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL334360 0.79 LOXL2 (0.67) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5549788 0.79 KDM4E (0.39) LOXL2CYP1A2ALDH1A1LMNAKDM4E
SCHEMBL2937018 0.79 CYP1A2 (0.54) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL269209 0.78 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1040581 0.78 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B

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-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed