SCHEMBL4565792

SCHEMBL4565792

COc1cccc(CNC(=O)c2cc(-c3cc(NC(=O)c4cc(C(C)(C)C)cc(C#N)c4OC)ccc3C)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
THRB P10828 1/20 0.41
MAPK14 Q16539 2/20 0.40
MAPK11 Q15759 1/20 0.40
MMP13 P45452 2/20 0.39
APEX1 P27695 1/20 0.39
POLB P06746 3/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
BRAF P15056 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
SCHEMBL4410129 0.90 MEN1 (0.44) MAPTMAPK14RAB9ANPC1CYP1A2
SCHEMBL14473102 0.89 USP2 (0.43) MAPTTHRBMAPK14MAPK11APEX1
SCHEMBL4413425 0.89 GAA (0.39) MAPTTHRBPOLBRAB9ACYP1A2
SCHEMBL4411278 0.88 MAPT (0.37) MAPTTHRBRAB9ANPC1CYP1A2
SCHEMBL4411132 0.88 BRAF (0.38) MAPTTHRBMAPK14CYP1A2CYP3A4
SCHEMBL4410028 0.85 MAPT (0.38) MAPTTHRBMAPK14CYP1A2CYP3A4
SCHEMBL4420133 0.83 RAB9A (0.48) RAB9ANPC1CYP1A2KMT2AALDH1A1
SCHEMBL4412714 0.83 MAPT (0.35) MAPTTHRBMAPK14CYP1A2CYP3A4
SCHEMBL4409883 0.82 MAPK14 (0.36) MAPTMAPK14CYP1A2CYP3A4CYP2C19
SCHEMBL4414341 0.82 USP30 (0.40) MAPK14MAPK11RAB9ANPC1BRAF

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
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed