SCHEMBL4411700

SCHEMBL4411700

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 4/20 0.43
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
NR1H4 Q96RI1 3/20 0.42
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4551944 0.89 NR1H4 (0.46) MEN1KMT2AMAPTRAF1BRAF
SCHEMBL4412543 0.87 ALDH1A1 (0.42) MEN1KMT2AMAPTRAF1BRAF
SCHEMBL4409369 0.86 RAB9A (0.51) MEN1KMT2ARAF1BRAFTSHR
SCHEMBL4419761 0.86 CYP1A2 (0.49) MEN1KMT2AMAPTGAATSHR
SCHEMBL4415213 0.86 RAF1 (0.45) MEN1KMT2AMAPTRAF1BRAF
SCHEMBL4411086 0.86 NR1H4 (0.46) MEN1KMT2AMAPTRAF1BRAF
SCHEMBL4407658 0.85 NPC1 (0.42) MEN1KMT2ABRAFGAATSHR
SCHEMBL4420074 0.85 RAF1 (0.49) RAF1BRAFRXFP1KDM4E
SCHEMBL4411132 0.84 BRAF (0.38) MEN1KMT2AMAPTRAF1BRAF
SCHEMBL4551235 0.84 MEN1 (0.50) MEN1KMT2AMAPTRXFP1NR1H4

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