SCHEMBL3942967

SCHEMBL3942967

CC(C)(C)c1ccc(-c2ncccc2C(=O)Nc2nc(-c3cccc(C(=O)O)c3)cs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 2/20 0.52
KDM4B O94953 2/20 0.52
KDM5B Q9UGL1 2/20 0.52
KDM5C P41229 1/20 0.52
RAB9A P51151 3/20 0.50
RRM1 P23921 1/20 0.49
RRM2B Q7LG56 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
PHGDH O43175 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
PARP1 P09874 1/20 0.47
SCD O00767 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABL1 P00519 1/20 0.45

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
SCHEMBL4457631 0.91 MAPT (0.46) KDM4AKDM4BKDM5BRAB9ARRM1
SCHEMBL4741397 0.87 RAB9A (0.56) KDM4AKDM4BKDM5BKDM5CRAB9A
SCHEMBL13961193 0.83 MTTP (0.49) RRM1RRM2BMAPTKDM4ELMNA
SCHEMBL4844171 0.78 SCD (0.56) RAB9AADORA3PHGDHMAPTPARP1
SCHEMBL4743698 0.78 MEN1 (0.51) RAB9ARRM1RRM2BADORA3MAPT
SCHEMBL14102317 0.76 MEN1 (0.49) RAB9ARRM1RRM2BMAPTLMNA
SCHEMBL14027877 0.76 MTTP (0.55) RAB9ARRM1RRM2BADORA3PHGDH
SCHEMBL22801114 0.75 RAB9A (0.51) RAB9AMAPTKDM4ELMNAMEN1
SCHEMBL5666303 0.75 MTTP (0.56)
SCHEMBL7221399 0.74 KDM4E (0.61) RAB9AMAPTKDM4ELMNAMEN1

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
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
WO-2009014674-A1 HETEROCYCLYLAMIDES AS GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed