SCHEMBL4410316

SCHEMBL4410316

COC(=O)c1cc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.43
BRAF P15056 16/20 0.43
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4410934 0.91 RAF1 (0.44) RAF1BRAFCYP1A2CYP2C19HDAC3
SCHEMBL4552227 0.91 RAF1 (0.44) RAF1BRAFHDAC3HDAC6
SCHEMBL4410213 0.90 RAF1 (0.42) RAF1BRAFMAPTCYP1A2CYP3A4
SCHEMBL5593338 0.89 RAF1 (0.44) RAF1BRAFHDAC3HDAC6
SCHEMBL4408574 0.89 RAF1 (0.44) RAF1BRAFHDAC3HDAC6
SCHEMBL4411086 0.88 NR1H4 (0.46) RAF1BRAFMAPT
SCHEMBL4565782 0.88 BRAF (0.43) RAF1BRAFMAPT
SCHEMBL4565727 0.87 NR1H4 (0.48) RAF1BRAFHDAC6
SCHEMBL4413443 0.87 RAF1 (0.41) RAF1BRAFHDAC6
SCHEMBL4415077 0.86 RAF1 (0.52) RAF1BRAF

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