SCHEMBL11523346

SCHEMBL11523346

CCc1cncc(NC(=O)NC(=O)c2c(C)cccc2C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
F2R P25116 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL11523524 0.86 NPC1 (0.37) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11526357 0.86 MEN1 (0.46) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL13771799 0.75 KMT2A (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11523668 0.75 PIK3CA (0.43) RAB9ANPC1KMT2AKDM4E
SCHEMBL11524161 0.72 RAB9A (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11522634 0.72 RAB9A (0.48) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL14642747 0.72 KDM4E (0.44) KMT2ASMN1; SMN2CYP1A2KDM4EL3MBTL1
SCHEMBL11525111 0.70 ATM (0.39) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11523521 0.70 PDE10A (0.38) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11521495 0.69 PIK3CA (0.42) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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