SCHEMBL11372102

SCHEMBL11372102

Nc1cnc(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.59
SLC6A2 P23975 2/20 0.53
SLC6A4 P31645 2/20 0.53
SLC6A3 Q01959 2/20 0.53
ALOX5AP P20292 5/20 0.49
FEN1 P39748 5/20 0.49
DHFR P00374 1/20 0.47
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
AHR P35869 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
IKBKB O14920 1/20 0.42
KIF20B Q96Q89 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2322762 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL15912858 0.78 ALOX5AP (0.51) KMOSLC6A2SLC6A4SLC6A3ALOX5AP
SCHEMBL27736107 0.76 IDO1 (0.51) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL5318865 0.76 KDM1A (0.50) ALOX5APFEN1DHFRADORA1
SCHEMBL21266740 0.76 PIK3CD (0.66) SLC6A2SLC6A4SLC6A3ALOX5APFEN1
SCHEMBL12925931 0.76 ALOX5AP (0.46) ALOX5APFEN1NPC1RAB9AKDM4E
SCHEMBL6701547 0.74 PIK3CG (0.51) ALOX5APFEN1PIK3CGADORA1
SCHEMBL40268 0.74 NPC1 (0.51) ALOX5APFEN1NPC1MAPT
SCHEMBL14742330 0.74 KMO (1.00) KMODHFRAHRNPC1RAB9A
SCHEMBL15912919 0.74 ALOX5AP (0.69) ALOX5APFEN1PIK3CDPIK3CAPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
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