SCHEMBL11525166

SCHEMBL11525166

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(-c2ccc3ccccc3c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.45
MAPT P10636 2/20 0.43
ABL1 P00519 6/20 0.43
GHSR Q92847 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
TPH1 P17752 1/20 0.40
TP53 P04637 1/20 0.39
GSK3B P49841 1/20 0.39
CNR1 P21554 1/20 0.39
IL2 P60568 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
SCHEMBL11521003 0.88 KMO (0.45) MAPTABL1GHSRNPC1RAB9A
SCHEMBL11521149 0.86 NPC1 (0.46) MAPTNPC1RAB9AJAK2TYK2
SCHEMBL11604630 0.86 RAB9A (0.48) MAPTNPC1RAB9AJAK2TYK2
SCHEMBL11385328 0.85 RAB9A (0.47) MAPTNPC1RAB9AJAK2TYK2
SCHEMBL11522661 0.83 IL2 (0.42) MAPTNPC1RAB9AJAK2TYK2
SCHEMBL11519534 0.83 RAB9A (0.40) MAPTGHSRNPC1RAB9AJAK2
SCHEMBL11525516 0.82 PPIA (0.48) MAPTABL1NPC1RAB9AJAK2
SCHEMBL11524371 0.81 MAPT (0.45) MAPTGHSRJAK2TYK2
SCHEMBL11524433 0.81 MEN1 (0.45) MAPTNPC1
SCHEMBL11525622 0.80 RAB9A (0.44) MAPTNPC1RAB9AJAK2TYK2

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