SCHEMBL11520937

SCHEMBL11520937

COc1cccc(COc2cnc(NC(=O)NC(=O)c3c(Cl)cccc3Cl)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
GHSR Q92847 1/20 0.48
FGFR4 P22455 1/20 0.45
CHEK1 O14757 4/20 0.44
NPC1 O15118 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
HTT P42858 1/20 0.39
NR3C2 P08235 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
SCHEMBL11522459 0.90 MAPT (0.47) MAPTGHSRCHEK1NPC1KDM4E
SCHEMBL11520929 0.86 MAPT (0.51) MAPTGHSRNPC1KDM4EALDH1A1
SCHEMBL11522456 0.82 KDM4E (0.51) MAPTGHSRNPC1KDM4EALDH1A1
SCHEMBL11179749 0.73 MAPT (0.52) MAPTGHSRNPC1KDM4EALDH1A1
SCHEMBL9352886 0.73 KMT2A (0.69) MAPTGHSRNPC1KDM4EALDH1A1
SCHEMBL11524573 0.73 RAB9A (0.46) MAPTGHSRNPC1MEN1KMT2A
SCHEMBL11519411 0.73 RAB9A (0.47) MAPTGHSRNPC1KDM4ERAB9A
SCHEMBL11527031 0.73 NPC1 (0.41) MAPTGHSRNPC1KDM4EALDH1A1
SCHEMBL11524371 0.73 MAPT (0.45) MAPTGHSRCHEK1KDM4EALDH1A1
SCHEMBL11519925 0.72 TYK2 (0.46) MAPTGHSRNPC1KDM4ERAB9A

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
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed