SCHEMBL5319934

SCHEMBL5319934

CC(C)(C)c1ccc(N(C(=O)O)C(C)(C)C)c(NC(=O)c2ccc3c(c2)CCC3NCCc2c[nH]c3ccccc23)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 5/20 0.39
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.36
SIRT1 Q96EB6 1/20 0.36

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
SCHEMBL4189729 0.87 MEN1 (0.43) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4180696 0.77 MEN1 (0.48) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4184975 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL13653096 0.76 MEN1 (0.43) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4178795 0.75 HDAC1 (0.55) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL28770269 0.74 MAPT (0.43) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL13653089 0.72 MEN1 (0.47) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL4197650 0.72 MEN1 (0.46) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL4193510 0.69 HDAC1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2CDK4
SCHEMBL27632003 0.69 MEN1 (0.51) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2

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
EP-1802577-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY Bayer Pharmaceuticals Corporation (US) 2007-07-04 EP disclosed
WO-2006062580-A1 INDANE AMIDES WITH ANTIPROLIFERATIVE ACTIVITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 WO disclosed