SCHEMBL4411086

SCHEMBL4411086

Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1cc(C(=O)NCC(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAF1 P04049 2/20 0.45
BRAF P15056 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPV1 Q8NER1 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KCNK9 Q9NPC2 1/20 0.41
MAPK14 Q16539 2/20 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
SCHEMBL4565727 0.91 NR1H4 (0.48) NR1H4RAF1BRAFMAPK14EPHA3
SCHEMBL4410934 0.90 RAF1 (0.44) NR1H4NPC1RAF1BRAFMEN1
SCHEMBL4552227 0.90 RAF1 (0.44) RAF1BRAF
SCHEMBL5593338 0.89 RAF1 (0.44) RAF1BRAFTRPV1
SCHEMBL4408574 0.89 RAF1 (0.44) NPC1RAB9ARAF1BRAFMEN1
SCHEMBL4410316 0.88 RAF1 (0.43) MAPTRAF1BRAF
SCHEMBL4565782 0.88 BRAF (0.43) NR1H4LMNAMAPTRAF1BRAF
SCHEMBL4566542 0.88 RAF1 (0.48) RAF1BRAF
SCHEMBL4415077 0.87 RAF1 (0.52) RAF1BRAF
SCHEMBL4410213 0.87 RAF1 (0.42) MAPTRAF1BRAF

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