SCHEMBL4552270

SCHEMBL4552270

COc1ccc(C(C)(C)C)cc1Nc1ccc(C)c(-c2cc(C(=O)NCC3CCCCC3)[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.41
KMT2A Q03164 9/20 0.41
USP30 Q70CQ3 1/20 0.41
MAPK14 Q16539 3/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
EPHA3 P29320 1/20 0.40
FRK P42685 1/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
XBP1 P17861 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
SCHEMBL4552271 0.88 MEN1 (0.46) MEN1KMT2AUSP30MAPK14MAPT
SCHEMBL4551231 0.86 MEN1 (0.45) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4551799 0.82 MEN1 (0.42) MEN1KMT2AMAPK14MAPTALDH1A1
SCHEMBL14473322 0.81 MEN1 (0.44) MEN1KMT2AUSP30MAPK14MAPT
SCHEMBL14473330 0.77 KDM4E (0.47) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5604188 0.75 RAB9A (0.52) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4551235 0.74 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4409606 0.71 MEN1 (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL14473143 0.71 MEN1 (0.53) MEN1KMT2AMAPTPOLBHTT
SCHEMBL4551800 0.70 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1POLB

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