SCHEMBL4419919

SCHEMBL4419919

COc1ccc(NC(=O)c2cc(NC(=O)c3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)cnc2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
BRAF P15056 3/20 0.44
MAPK14 Q16539 5/20 0.43
RAB9A P51151 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
PABPC1 P11940 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SCARB1 Q8WTV0 2/20 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
SCHEMBL4416963 0.90 MAPK14 (0.44) BRAFMAPK14MEN1KMT2ALMNA
SCHEMBL4417785 0.88 MAPK14 (0.43) SMN1; SMN2BRAFMAPK14MEN1KMT2A
SCHEMBL5494587 0.84 MAPK14 (0.42) BRAFMAPK14
SCHEMBL4417851 0.83 MAPK14 (0.44) SMN1; SMN2MAPK14RAB9AMEN1KMT2A
SCHEMBL4416273 0.82 MAPK14 (0.41) MAPK14MAPTSCARB1
SCHEMBL5490019 0.81 RAB9A (0.42) SMN1; SMN2MAPK14RAB9AMEN1KMT2A
SCHEMBL4726185 0.80 BRAF (0.42) BRAFMAPK14SCARB1
SCHEMBL4408299 0.80 MAPK14 (0.42) MAPK14SCARB1
SCHEMBL5497982 0.75 MAPK14 (0.52) BRAFMAPK14SCARB1
SCHEMBL14534449 0.74 LMNA (0.46) SMN1; SMN2RAB9AMEN1KMT2AMAPT

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