SCHEMBL4420870

SCHEMBL4420870

COC(=O)c1cccc(COc2ccc(NC(=O)c3cc(NC(=O)c4cc(C(C)(C)C)cc(C#N)c4OC)cnc3C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.43
BRAF P15056 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TDP2 O95551 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4410752 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL14534450 0.89 MRGPRX4 (0.44) MRGPRX4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5489688 0.89 BRAF (0.39) BRAFNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4410224 0.88 MAPK14 (0.43) BRAFNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4565964 0.87 MAPK14 (0.42) BRAFNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4413445 0.85 LMNA (0.44) BRAFNPC1RAB9AMAPTKDM4E
SCHEMBL4417279 0.84 MAPT (0.41) BRAFNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4411102 0.82 MAPK14 (0.42) NPC1KDM4E
SCHEMBL5482540 0.78 RAB9A (0.48) BRAFNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4727823 0.78 MAPK14 (0.45) BRAF

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-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed