SCHEMBL3263601

SCHEMBL3263601

CCC[As](C)c1ccccc1Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 2/20 0.41
LMNA P02545 3/20 0.40
CHRM1 P11229 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL1045955 0.86 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1046002 0.84 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1042896 0.84 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1044567 0.82 MAPT (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1046876 0.81 TOP1 (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1044543 0.81 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1044962 0.81 GAA (0.51) ALDH1A1CNR2LMNACHRM1HTT
SCHEMBL1044465 0.81 LMNA (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1046189 0.81 TP53 (0.47) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1043877 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR

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 disclosed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP disclosed