SCHEMBL4551799

SCHEMBL4551799

COc1ccc(C(C)(C)C)cc1Nc1ccc(C)c(-c2cc(C(=O)NC3CCOCC3)[nH]n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.42
KMT2A Q03164 12/20 0.42
ALDH1A1 P00352 1/20 0.40
BRAF P15056 1/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 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
SCHEMBL4551800 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5602348 0.86 HTT (0.41) BRAFMAPTHTTLMNATSHR
SCHEMBL4552270 0.82 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL4551231 0.82 MEN1 (0.45) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14473322 0.77 MEN1 (0.44) MEN1KMT2ABRAFMAPTHPGD
SCHEMBL4413480 0.74 RAF1 (0.45) MEN1KMT2ABRAFMAPTGAA
SCHEMBL4409606 0.72 MEN1 (0.53) MEN1KMT2AMAPTHPGDHTT
SCHEMBL14473143 0.72 MEN1 (0.53) MEN1KMT2AMAPTHPGDHTT
SCHEMBL14473330 0.72 KDM4E (0.47) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL5604188 0.71 RAB9A (0.52) MEN1KMT2AALDH1A1HPGDLMNA

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 2 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