SCHEMBL11568646

SCHEMBL11568646

Clc1ccc(C2Nc3cccc4cccc(c34)N2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 19/20 1.00
KMT2A Q03164 19/20 1.00
GAA P10253 10/20 1.00
MCL1 Q07820 1/20 0.69
NPC1 O15118 8/20 0.66
KDM4E B2RXH2 3/20 0.66
MAPT P10636 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
LMNA P02545 1/20 0.66
ALOX12 P18054 1/20 0.66
MAPK1 P28482 1/20 0.66
RECQL P46063 1/20 0.66
AR P10275 2/20 0.62
POLB P06746 2/20 0.59
HPN P05981 1/20 0.59
IDE P14735 1/20 0.58
ALDH1A1 P00352 2/20 0.55
HSP90AA1 P07900 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL14709708 0.82 MEN1 (0.69) MEN1KMT2AGAAMCL1NPC1
SCHEMBL14709410 0.82 MEN1 (0.69) MEN1KMT2AGAAMCL1NPC1
SCHEMBL13035675 0.82 MEN1 (0.84) MEN1KMT2AGAAMCL1NPC1
SCHEMBL13035693 0.81 MEN1 (1.00) MEN1KMT2AGAAMCL1NPC1
SCHEMBL11568615 0.81 MEN1 (1.00) MEN1KMT2AGAAMCL1NPC1
SCHEMBL16229294 0.79 MEN1 (0.68) MEN1KMT2AGAAMCL1NPC1
SCHEMBL12858471 0.77 AR (1.00) MEN1KMT2AGAAMCL1NPC1
SCHEMBL11568648 0.76 MEN1 (0.61) MEN1KMT2AGAAMCL1NPC1
SCHEMBL14709352 0.75 MEN1 (1.00) MEN1KMT2AGAAMCL1NPC1
SCHEMBL14709209 0.75 MEN1 (1.00) MEN1KMT2AGAAMCL1NPC1

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
WO-2013023300-A1 INHIBITORS OF ANDROGEN RECEPTOR ACTIVATION FUNCTION-2 (AF2) AS THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-02-21 WO disclosed
EP-0002906-A2 Novel perimidines, their preparation, formulations and use as immunosuppressives ELI LILLY AND COMPANY (US) 1979-07-11 EP disclosed