SCHEMBL4551231

SCHEMBL4551231

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.45
KMT2A Q03164 13/20 0.45
MAPT P10636 8/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 5/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
ESR1 P03372 1/20 0.42
THRB P10828 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL4551235 0.87 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4552270 0.86 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4551799 0.82 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4409606 0.76 MEN1 (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL14473143 0.76 MEN1 (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL5602271 0.74 HTT (0.43) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4552271 0.74 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL14473322 0.73 MEN1 (0.44) MEN1KMT2AMAPTPOLBHTT
SCHEMBL14473168 0.72 TEK (0.48) MEN1KMT2APOLB
SCHEMBL5604346 0.72 HTT (0.42) MEN1KMT2AMAPTHTTLMNA

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