SCHEMBL4415213

SCHEMBL4415213

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCC3CCOCC3)on2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.45
BRAF P15056 3/20 0.45
MAPK14 Q16539 10/20 0.43
EPHA3 P29320 1/20 0.43
FRK P42685 1/20 0.43
HSPB1 P04792 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4409369 0.90 RAB9A (0.51) RAF1BRAFNPC1RAB9AMEN1
SCHEMBL4413480 0.89 RAF1 (0.45) RAF1BRAFMAPK14RXFP1NPC1
SCHEMBL14473322 0.87 MEN1 (0.44) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4411700 0.86 MEN1 (0.43) RAF1BRAFRXFP1MAPTMEN1
SCHEMBL4420074 0.85 RAF1 (0.49) RAF1BRAFMAPK14RXFP1NPC1
SCHEMBL4551944 0.83 NR1H4 (0.46) RAF1BRAFRXFP1MAPTMEN1
SCHEMBL4412543 0.82 ALDH1A1 (0.42) RAF1BRAFRXFP1NPC1RAB9A
SCHEMBL4419761 0.81 CYP1A2 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14473317 0.80 RAF1 (0.37) RAF1BRAFMAPK14EPHA3FRK
SCHEMBL4407658 0.79 NPC1 (0.42) BRAFNPC1RAB9AMEN1KMT2A

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