SCHEMBL17030640

SCHEMBL17030640

COc1ccc(C2(C(=O)C=N)CC2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
QPCT Q16769 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HDAC1 Q13547 2/20 0.36
ALOX15 P16050 1/20 0.35
CTSD P07339 3/20 0.35
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 3/20 0.35
SELP P16109 2/20 0.35
SELL P14151 1/20 0.35

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
SCHEMBL30223686 0.82 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL1465569 0.82 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL31184746 0.74 LMNA (0.81) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL19469640 0.70 AKR1C3 (0.51) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL22026867 0.70 DGAT1 (0.44) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL16867624 0.69 LMNA (0.65) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL77742 0.69 LMNA (0.65) LMNAKMT2AMEN1L3MBTL1PDE4A
SCHEMBL19863729 0.68 ESR1 (0.58) LMNAKMT2AMEN1L3MBTL1PPARA
SCHEMBL19863496 0.68 ESR1 (0.53) LMNAPPARAALDH1A1CASP1ALOX15
SCHEMBL930424 0.68 ALOX15 (0.42) LMNAALDH1A1CASP1ALOX15CTSD

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
EP-2007756-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-08-26 EP disclosed