SCHEMBL11524433

SCHEMBL11524433

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(-c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CG P48736 1/20 0.44
KMO O15229 2/20 0.43
GAA P10253 1/20 0.43
RORC P51449 2/20 0.42
RORB Q92753 1/20 0.42
DGAT1 O75907 1/20 0.42
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
KCNQ5 Q9NR82 1/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL11376439 0.90 RORB (0.51) MEN1KMT2ASMN1; SMN2MAPTPIK3CD
SCHEMBL11604630 0.84 RAB9A (0.48) MAPTKDM4ENPC1
SCHEMBL11521003 0.84 KMO (0.45) MAPTKMONPC1
SCHEMBL11521149 0.82 NPC1 (0.46) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL11383754 0.82 GAA (0.46) MEN1KMT2ANPSR1SMN1; SMN2MAPT
SCHEMBL11385328 0.81 RAB9A (0.47) MEN1KMT2ANPSR1MAPTNPC1
SCHEMBL11521954 0.81 TYK2 (0.44) MEN1KMT2ANPSR1SMN1; SMN2MAPT
SCHEMBL11525622 0.81 RAB9A (0.44) NPSR1SMN1; SMN2MAPTGAANPC1
SCHEMBL11525166 0.81 SIRT2 (0.45) MAPTNPC1
SCHEMBL11525162 0.81 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2MAPT

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