SCHEMBL9953287

SCHEMBL9953287

CS(=O)(=O)N1CCC(n2c(N)nc3ccc(Br)cc3c2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CCNE1 P24864 5/20 0.40
CDK2 P24941 5/20 0.40
CCND1 P24385 4/20 0.40
CDK6 Q00534 4/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
HCAR1 Q9BXC0 1/20 0.38
PIK3CG P48736 2/20 0.37
PI4KA P42356 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL10289133 0.82 CACNA2D1 (0.39) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9953326 0.80 PI4KA (0.45) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9952794 0.80 HCAR1 (0.41) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL9953300 0.68 PDE5A (0.46) KMT2AALDH1A1PDE4BPDE4DMEN1
SCHEMBL31241110 0.68 PDE5A (0.46) KMT2AALDH1A1PDE4BPDE4DMEN1
SCHEMBL17583061 0.68 HCAR1 (0.45) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL14247637 0.68 HCAR1 (0.48) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL10289136 0.67 CACNA2D1 (0.51) KMT2AMAPTOPRM1MEN1ATM
SCHEMBL9953980 0.67 ATM (0.51) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL21090745 0.66 CTSD (0.50) LMNAKMT2AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed