SCHEMBL4457631

SCHEMBL4457631

COC(=O)c1cccc(-c2csc(NC(=O)c3cccnc3-c3ccc(C(C)(C)C)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RRM1 P23921 1/20 0.46
RRM2B Q7LG56 1/20 0.46
ADORA3 P0DMS8 3/20 0.45
MAPK1 P28482 1/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
RAB9A P51151 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4B O94953 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
LMNA P02545 2/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL3942967 0.91 KDM4A (0.52) MAPTKDM4ERRM1RRM2BADORA3
SCHEMBL4743698 0.87 MEN1 (0.51) MAPTALDH1A1THRBKDM4ERRM1
SCHEMBL13961193 0.80 MTTP (0.49) MAPTALDH1A1KDM4ERRM1RRM2B
SCHEMBL4741397 0.78 RAB9A (0.56) MAPTRRM1RRM2BADORA3MAPK1
SCHEMBL22801024 0.76 KMT2A (0.49) MAPTALDH1A1THRBKDM4EADORA3
SCHEMBL14102317 0.73 MEN1 (0.49) MAPTALDH1A1RRM1RRM2BMEN1
SCHEMBL14027877 0.72 MTTP (0.55) MAPTALDH1A1RRM1RRM2BADORA3
SCHEMBL18387916 0.72 ALDH1A1 (0.55) MAPTALDH1A1THRBKDM4EADORA3
SCHEMBL27326388 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9ASMN1; SMN2HTT
SCHEMBL11087776 0.71 ALDH1A1 (0.56) MAPTALDH1A1THRBRRM1RRM2B

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