SCHEMBL4410028

SCHEMBL4410028

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)CCc3ccccc3)on2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK14 Q16539 5/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H4 Q96RI1 2/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
BRAF P15056 3/20 0.34
THRB P10828 1/20 0.34
LRRK2 Q5S007 1/20 0.34
RAF1 P04049 1/20 0.34

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
SCHEMBL4409883 0.87 MAPK14 (0.36) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL5603582 0.87 MAPK14 (0.37) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4565792 0.85 MAPT (0.41) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4411132 0.85 BRAF (0.38) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4413425 0.83 GAA (0.39) MAPTCYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL4410129 0.83 MEN1 (0.44) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4412714 0.82 MAPT (0.35) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4410261 0.82 NPC1 (0.39) MAPTCYP1A2CYP3A4CYP2C19MAPK14
SCHEMBL4411278 0.82 MAPT (0.37) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL4420133 0.81 RAB9A (0.48) CYP1A2KDM4ESMN1; SMN2BRAFRAF1

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 4 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed