SCHEMBL4420074

SCHEMBL4420074

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCCN3CCOCC3)on2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.49
BRAF P15056 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
EPHX2 P34913 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
BCL3 P20749 1/20 0.42
ACHE P22303 1/20 0.42
LCK P06239 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL4415213 0.85 RAF1 (0.45) RAF1BRAFNPC1RAB9ARXFP1
SCHEMBL4411700 0.85 MEN1 (0.43) RAF1BRAFKDM4ERXFP1
SCHEMBL4413480 0.84 RAF1 (0.45) RAF1BRAFNPC1RXFP1MAPK14
SCHEMBL4412543 0.84 ALDH1A1 (0.42) RAF1BRAFNPC1POLBRAB9A
SCHEMBL4409369 0.82 RAB9A (0.51) RAF1BRAFL3MBTL1NPC1RAB9A
SCHEMBL4551944 0.82 NR1H4 (0.46) RAF1BRAFRXFP1
SCHEMBL4407658 0.81 NPC1 (0.42) BRAFL3MBTL1NPC1RAB9A
SCHEMBL4419761 0.79 CYP1A2 (0.49) L3MBTL1NPC1POLBRAB9ALMNA
SCHEMBL5593418 0.79 L3MBTL1 (0.44) RAF1BRAFL3MBTL1NPC1POLB
SCHEMBL5593328 0.78 RXFP1 (0.43) RAF1BRAFKDM4ERXFP1

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