SCHEMBL10513445

SCHEMBL10513445

CC(C)CCCCCCCCCCCCCCCOC(=O)n1c(-c2nc3ccccc3n2C(=O)OCCCCCCCCCCCCCCCC(C)C)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
PSMD14 O00487 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CNR2 P34972 4/20 0.44
BRD4 O60885 1/20 0.42
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
APAF1 O14727 1/20 0.39
REN P00797 1/20 0.38

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
SCHEMBL10513278 1.00 TSHR (0.47) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10506341 0.92 KMT2A (0.50) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8554257 0.90 TSHR (0.40) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8595054 0.90 TSHR (0.40) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10515420 0.86 TSHR (0.57) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8555403 0.83 KMT2A (0.37) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8557608 0.83 KMT2A (0.37) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10504808 0.81 ASAH1 (0.47) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10513246 0.79 PRSS1 (0.48) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL11753271 0.77 KDM4E (0.48) TSHRKMT2AALDH1A1MAPTNPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196153-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP claimed
US-4696801-A Process for the extraction of metal values with bisimidazole metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-29 US claimed
EP-0196153-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP claimed
EP-0196153-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP disclosed
US-4822880-A 1,1'-SUBSTITUTED 2,2'-BIIMIDAZOLE OR BIBENZIMIDAZOLES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-18 US disclosed
US-4696801-A Process for the extraction of metal values with bisimidazole metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-29 US disclosed
EP-0196153-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP disclosed