SCHEMBL4552271

SCHEMBL4552271

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(-c2cc(C(=O)NCC3CCCCC3)[nH]n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
MAPK14 Q16539 9/20 0.44
EPHA3 P29320 1/20 0.44
FRK P42685 1/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KIT P10721 1/20 0.41
DHODH Q02127 1/20 0.41
USP30 Q70CQ3 1/20 0.41
POLB P06746 2/20 0.40

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
SCHEMBL14473322 0.92 MEN1 (0.44) MEN1KMT2AMAPK14EPHA3FRK
SCHEMBL14473330 0.89 KDM4E (0.47) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL4552270 0.88 MEN1 (0.41) MEN1KMT2AMAPK14EPHA3FRK
SCHEMBL4551235 0.86 MEN1 (0.50) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL4409606 0.84 MEN1 (0.53) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL14473143 0.84 MEN1 (0.53) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL4551800 0.82 MEN1 (0.46) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL4415213 0.79 RAF1 (0.45) MEN1KMT2AMAPK14EPHA3FRK
SCHEMBL5593295 0.77 NR1H4 (0.47) MEN1KMT2AMAPTHPGDUSP2
SCHEMBL4409369 0.76 RAB9A (0.51) MEN1KMT2AHPGDLMNATSHR

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