SCHEMBL6604835

SCHEMBL6604835

CCn1ncc(C#Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1CC(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34
AKR1C3 P42330 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GPBAR1 Q8TDU6 3/20 0.32
NOTUM Q6P988 1/20 0.32
ACACB O00763 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GRM5 P41594 1/20 0.31
ABL1 P00519 2/20 0.31
DDR1 Q08345 2/20 0.31
DDR2 Q16832 2/20 0.31
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7510983 0.88 AGBL2 (0.38) MEN1KMT2AALDH1A1
SCHEMBL6604749 0.80 PTGDR2 (0.37) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL6605724 0.73 MEN1 (0.39) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL1296063 0.65 HSP90AB1 (0.56) MAPTALDH1A1LMNANOTUM
SCHEMBL6605540 0.65 PTGDR2 (0.37) AKR1C3ACACB
SCHEMBL6553779 0.63 NOTUM (0.41) MAPTLMNANOTUM
SCHEMBL6604766 0.62 PTGDR2 (0.48) ACACB
SCHEMBL6603401 0.62 XPO1 (0.37) GPBAR1GRM5
SCHEMBL18253188 0.61 TAS2R14 (0.45) MEN1KMT2AHPGDMAPTALDH1A1
SCHEMBL28998901 0.61 HPGD (0.40) MEN1KMT2AHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed