SCHEMBL11523922

SCHEMBL11523922

Cc1cccc(C)c1C(=O)NC(=O)Nc1cnc(Oc2cccc(Br)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.43
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
GRM5 P41594 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MET P08581 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 1/20 0.37
GCK P35557 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
XBP1 P17861 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11521872 0.87 KDM4E (0.40) RAF1RAB9ANPC1GRM5MEN1
SCHEMBL11526513 0.79 RAB9A (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11520929 0.77 MAPT (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11522456 0.72 KDM4E (0.51) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL11527031 0.71 NPC1 (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11521631 0.71 WNT3A (0.45) RAB9ANPC1MEN1KMT2AATM
SCHEMBL11524059 0.69 TRPV1 (0.42) RAB9ANPC1MEN1KMT2AATM
SCHEMBL11523923 0.68 RAB9A (0.43) RAB9ANPC1MEN1KMT2AATM
SCHEMBL11521970 0.68 ALDH1A1 (0.41) RAB9ANPC1MEN1KMT2AATM
SCHEMBL11527118 0.67 STIM1 (0.42) RAB9ANPC1MEN1KMT2AATM

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