SCHEMBL3240136

SCHEMBL3240136

O=C(O)Oc1cn(CCO)c2ccc(Cc3cc(O)ccc3Cl)cc2c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
LMNA P02545 3/20 0.35
PLA2G2A P14555 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 3/20 0.33
ABCB11 O95342 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
CCR2 P41597 1/20 0.32
NTRK1 P04629 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
P2RX7 Q99572 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL3239864 0.90 LMNA (0.37) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3246563 0.90 LMNA (0.40) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3241690 0.90 THRB (0.40) CNR2LMNAMAPTTP53SMN1; SMN2
SCHEMBL3245011 0.88 LMNA (0.40) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL1044730 0.87 LMNA (0.41) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3235095 0.87 CNR2 (0.36) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3243761 0.86 CNR2 (0.37) CNR2LMNACCR2SMN1; SMN2
SCHEMBL3239637 0.85 SLC22A12 (0.39) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3245353 0.84 CNR2 (0.41) CNR2LMNAALDH1A1MAPTTP53
SCHEMBL3234992 0.83 LMNA (0.38) LMNAALDH1A1MAPTTP53THRB

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-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed