SCHEMBL4743866

SCHEMBL4743866

CC(C)CC(N)C(=O)NCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
MAPT P10636 1/20 0.59
ANPEP P15144 2/20 0.57
MMP8 P22894 5/20 0.57
LARS1 Q9P2J5 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
MME P08473 1/20 0.52
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
SLC1A2 P43004 1/20 0.51

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
SCHEMBL1792751 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTANPEP
SCHEMBL22522245 1.00 KMT2A (0.59) KMT2AALDH1A1MEN1MAPTANPEP
Hydrochloric Acid SCHEMBL10520633 0.98 KMT2A (0.58) KMT2AALDH1A1MEN1MAPTANPEP
Acetic Acid SCHEMBL11135238 0.97 ALDH1A1 (0.56) KMT2AALDH1A1MEN1MAPTANPEP
SCHEMBL7371699 0.90 ALDH1A1 (0.52) KMT2AALDH1A1MEN1MAPTANPEP
SCHEMBL15623810 0.89 ERAP2 (0.53) ANPEPMMP8LARS1
SCHEMBL22522208 0.86 ANPEP (0.58) KMT2AALDH1A1MEN1ANPEP
SCHEMBL18274706 0.85 SLC1A1 (0.61) KMT2AALDH1A1MEN1MAPTMMP8
SCHEMBL10688879 0.84 ANPEP (0.59) KMT2AMEN1ANPEPL3MBTL1
SCHEMBL8613610 0.84 ANPEP (0.63) KMT2AMEN1ANPEPMMP8LARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 CN claimed
WO-2008119772-A1 AMIDE DERIVATIVES AS INHIBITORS OF ASPARTYL PROTEASES MEDIVIR AB (SE) 2008-10-09 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 WO disclosed