SCHEMBL3246491

SCHEMBL3246491

O=C(O)Oc1cn(CCO)c2ccc(Cc3ccccc3C(=O)O)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CHRM1 P11229 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL1042896 0.90 LMNA (0.48) TSHRLMNAALDH1A1CHRM1MAPT
SCHEMBL3234992 0.89 LMNA (0.38) LMNAALDH1A1TP53MAPT
SCHEMBL3245273 0.89 MAPT (0.41) TSHRLMNAALDH1A1TP53MAPT
SCHEMBL3232426 0.88 LMNA (0.38) LMNAALDH1A1TP53MAPT
SCHEMBL3242293 0.88 LMNA (0.38) LMNAALDH1A1TP53MAPT
SCHEMBL3245011 0.88 LMNA (0.40) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL3242538 0.87 CNR2 (0.40) LMNAALDH1A1TP53
SCHEMBL3246615 0.86 MAPT (0.40) LMNAALDH1A1TP53MAPT
SCHEMBL3241708 0.85 TP53 (0.42) LMNAALDH1A1TP53MAPTKDM4E
SCHEMBL3243303 0.85 TP53 (0.38) LMNAALDH1A1TP53MAPT

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