SCHEMBL4409883

SCHEMBL4409883

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)N(C)Cc3ccccc3)on2)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.36
MTTP P55157 1/20 0.36
MAPT P10636 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL4413425 0.93 GAA (0.39) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4412714 0.92 MAPT (0.35) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4410261 0.92 NPC1 (0.39) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL5593243 0.90 NPC1 (0.43) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL4410028 0.87 MAPT (0.38) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL5603582 0.84 MAPK14 (0.37) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4411132 0.84 BRAF (0.38) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4565827 0.83 TEK (0.46) ALDH1A1SMN1; SMN2RAF1BRAF
SCHEMBL4565792 0.82 MAPT (0.41) MAPK14MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4410129 0.82 MEN1 (0.44) MAPK14MAPTCYP1A2CYP3A4CYP2C19

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