SCHEMBL6614014

SCHEMBL6614014

COC(=O)Cc1ccc2oc(-c3c(F)cccc3Cl)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 1/20 0.58
ITGB1 P05556 2/20 0.51
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
KDR P35968 4/20 0.46
TP53 P04637 4/20 0.46
THRB P10828 2/20 0.46
HPSE Q9Y251 5/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
UTRN P46939 1/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
P2RY14 Q15391 1/20 0.44

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
SCHEMBL6614228 0.87 HPSE (0.55) KDM4EITGB1ITGA4ITGB7HPSE
SCHEMBL27606520 0.79 UTRN (0.45) KDM4ENPC1ALDH1A1MAPK1ITGB1
SCHEMBL6613245 0.78 MAOA (0.48) KDM4ENPC1ALDH1A1ITGB1ITGA4
SCHEMBL16176997 0.78 KDM4E (0.58) KDM4ENPC1ALDH1A1MAPK1KDR
SCHEMBL1121567 0.77 NPC1 (0.59) KDM4ENPC1ALDH1A1MAPK1KDR
SCHEMBL19029185 0.76 HDAC6 (0.68)
SCHEMBL6818336 0.76 KDM4E (0.56) KDM4ENPC1ALDH1A1MAPK1KDR
SCHEMBL6818596 0.76 MAPT (0.56) KDM4ENPC1ALDH1A1MAPK1KDR
SCHEMBL6824602 0.76 KDM4E (0.61) KDM4ENPC1ALDH1A1MAPK1HPSE
SCHEMBL6818487 0.76 HPSE (0.56) KDM4ENPC1ALDH1A1MAPK1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1533389-A Azole derivatives useful as insecticide 2004-09-29 CN disclosed
EP-1414818-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE Syngenta Limited (GB) 2004-05-06 EP disclosed
WO-2003011861-A1 AZOLE DERIVATIVES USEFUL AS INSECTICIDE SYNGENTA LIMITED (GB) 2003-02-13 WO disclosed