SCHEMBL10515420

SCHEMBL10515420

CCCCCCCCCCCCCOC(=O)n1c(-c2nc3ccccc3n2C(=O)OCCCCCCCCCCCCC)nc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
KMT2A Q03164 3/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 3/20 0.56
MAPT P10636 3/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 4/20 0.51
PSMD14 O00487 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ASAH1 Q13510 1/20 0.50
ALDH1A1 P00352 5/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 2/20 0.46
CNR2 P34972 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CNR1 P21554 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL8598155 0.89 TSHR (0.48) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL5970046 0.87 TSHR (0.58) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11751433 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11753672 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11777317 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11747508 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11749159 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL11747519 0.87 KDM4E (0.53) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL10513445 0.86 TSHR (0.47) TSHRKMT2ARAB9ANPSR1MAPT
SCHEMBL10513278 0.86 TSHR (0.47) TSHRKMT2ARAB9ANPSR1MAPT

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 9 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
EP-0308438-A1 Liquid crystal phase containing tolanes. MERCK PATENT GMBH (DE) 1989-03-29 EP disclosed
WO-1988007514-A1 TOLANES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1988-10-06 WO 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