SCHEMBL4413480

SCHEMBL4413480

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NC3CCOCC3)on2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.45
BRAF P15056 3/20 0.45
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM1A O60341 3/20 0.40
USP30 Q70CQ3 1/20 0.39
DHODH Q02127 1/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK14 Q16539 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
SCHEMBL4415213 0.89 RAF1 (0.45) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL5602348 0.88 HTT (0.41) RAF1BRAFMAPTUSP30MAPK14
SCHEMBL4551800 0.86 MEN1 (0.46) RAF1MAPTMEN1KMT2ARXFP1
SCHEMBL4551944 0.85 NR1H4 (0.46) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL4420074 0.84 RAF1 (0.49) RAF1BRAFRXFP1NPC1MAPK14
SCHEMBL4409369 0.84 RAB9A (0.51) RAF1BRAFMEN1KMT2ASMN1; SMN2
SCHEMBL4411700 0.83 MEN1 (0.43) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL4412543 0.81 ALDH1A1 (0.42) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL14473259 0.78 GSK3A (0.41) RAF1BRAFMAPTUSP30MAPK14
SCHEMBL4407658 0.78 NPC1 (0.42) BRAFMEN1KMT2AGAANPC1

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 4 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
WO-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed