SCHEMBL14408985

SCHEMBL14408985

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
MAPT P10636 7/20 0.52
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
CASP6 P55212 1/20 0.48
PAX8 Q06710 1/20 0.48

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
SCHEMBL4037149 0.86 MEN1 (0.57) GCGRL3MBTL1MEN1KMT2AMAPT
SCHEMBL13739786 0.86 MEN1 (0.55) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL13963393 0.85 ADORA1 (0.54) GCGRL3MBTL1MEN1KMT2AMAPT
SCHEMBL2643615 0.84 MEN1 (0.53) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL2643572 0.83 MEN1 (0.56) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL2644838 0.83 MEN1 (0.55) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3421633 0.82 ALDH1A1 (0.62) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL2643643 0.81 MEN1 (0.54) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL3423870 0.80 MAPT (0.66) L3MBTL1MEN1KMT2AMAPTALDH1A1
SCHEMBL28453179 0.79 STAT3 (0.68) L3MBTL1MEN1KMT2AMAPTALDH1A1

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-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed
US-7273876-B2 Substituted bicylic thiophene derivatives, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2007-09-25 US disclosed