SCHEMBL4413445

SCHEMBL4413445

COc1ccc(NC(=O)c2cc(NC(=O)c3cc(C(C)(C)C)cc(C#N)c3OC)cnc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
BRAF P15056 4/20 0.43
NR3C1 P04150 1/20 0.41
MAPK14 Q16539 5/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 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
SCHEMBL5489688 0.92 BRAF (0.39) LMNAGAATSHRBRAFMAPK14
SCHEMBL4410752 0.89 NPC1 (0.46) MAPK14NPC1RAB9AMEN1KMT2A
SCHEMBL4565964 0.89 MAPK14 (0.42) LMNABRAFMAPK14NPC1RAB9A
SCHEMBL4417279 0.87 MAPT (0.41) BRAFMAPK14TP53NPC1RAB9A
SCHEMBL4410224 0.86 MAPK14 (0.43) BRAFMAPK14NPC1RAB9AMEN1
SCHEMBL14534449 0.86 LMNA (0.46) LMNAGAATSHRNR3C1TP53
SCHEMBL4420870 0.85 MRGPRX4 (0.43) LMNAGAABRAFTP53NPC1
SCHEMBL4411102 0.85 MAPK14 (0.42) MAPK14NPC1KDM4E
SCHEMBL4414872 0.83 BRAF (0.49) LMNAGAATSHRBRAFMAPK14
SCHEMBL4727971 0.82 MAPK14 (0.39) BRAFMAPK14NR1H4

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