SCHEMBL4407783

SCHEMBL4407783

COCCOC(=O)Nc1cc(C(=O)Nc2ccc(C)c(-c3cc(C(=O)NCC(C)(C)C)on3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.40
BRAF P15056 15/20 0.40
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4410213 0.93 RAF1 (0.42) RAF1BRAFMAPTCYP1A2CYP3A4
SCHEMBL14473015 0.91 RAF1 (0.39) RAF1BRAFMAPT
SCHEMBL4565782 0.88 BRAF (0.43) RAF1BRAFMAPT
SCHEMBL4410316 0.86 RAF1 (0.43) RAF1BRAFMAPTCYP1A2CYP3A4
SCHEMBL4552227 0.84 RAF1 (0.44) RAF1BRAF
SCHEMBL4410934 0.84 RAF1 (0.44) RAF1BRAFCYP1A2CYP2C19
SCHEMBL5593338 0.84 RAF1 (0.44) RAF1BRAF
SCHEMBL4408574 0.84 RAF1 (0.44) RAF1BRAF
SCHEMBL4411086 0.83 NR1H4 (0.46) RAF1BRAFMAPT
SCHEMBL4417829 0.83 TEK (0.45) 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 2 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