SCHEMBL11523894

SCHEMBL11523894

O=C(NC(=O)c1c(Br)cccc1Br)Nc1cnc(Cc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PPIA P62937 1/20 0.40
PKM P14618 1/20 0.38
BRD4 O60885 1/20 0.37
CHEK1 O14757 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
PYGL P06737 1/20 0.34
DEGS1 O15121 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL11521655 0.83 RAB9A (0.39) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL11523266 0.78 RAB9A (0.45) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL11526513 0.77 RAB9A (0.40) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL11523410 0.75 CHEK1 (0.54) CHEK1
SCHEMBL11521485 0.74 MAPT (0.42) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11373756 0.73 PYGL (0.42) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11525162 0.73 MEN1 (0.43) NPC1KMT2AMEN1SMN1; SMN2TDP1
SCHEMBL11522663 0.72 RAB9A (0.42) RAB9ANPC1PKMKMT2AMEN1
SCHEMBL11524038 0.71 RAB9A (0.41) RAB9ANPC1PPIAITGB1POLB
SCHEMBL11519925 0.70 TYK2 (0.46) RAB9ANPC1PPIAPOLBMAPT

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