SCHEMBL11522756

SCHEMBL11522756

O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc(Oc2ccccc2C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
TYK2 P29597 1/20 0.42
KMT2A Q03164 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
RORC P51449 1/20 0.40
STK39 Q9UEW8 1/20 0.39
RAB9A P51151 1/20 0.39
KDR P35968 3/20 0.39
MAPK10 P53779 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RY1 P47900 1/20 0.38

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
SCHEMBL11521954 0.81 TYK2 (0.44) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11523665 0.80 HCRTR1 (0.48) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11527031 0.80 NPC1 (0.41) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11522456 0.79 KDM4E (0.51) KDM4ENPC1ALDH1A1MAPK1KMT2A
SCHEMBL11524635 0.78 TYK2 (0.43) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11524682 0.78 TYK2 (0.41) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11520929 0.77 MAPT (0.51) KDM4ENPC1ALDH1A1MAPK1TYK2
SCHEMBL11519411 0.76 RAB9A (0.47) KDM4ENPC1TYK2RAB9AMAPT
SCHEMBL8657584 0.75 RAB9A (0.57) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL11398829 0.74 GAA (0.52) KDM4ENPC1ALDH1A1MAPK1KMT2A

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