SCHEMBL8554257

SCHEMBL8554257

Cc1ccc2c(nc(-c3nc4ccccc4n3C(=O)OCCCCCCCC(C)C)n2C(=O)OCCCCCCCC(C)C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
PSMD14 O00487 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 3/20 0.37
BRD4 O60885 1/20 0.36
KDM4E B2RXH2 2/20 0.34
CNR1 P21554 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
REN P00797 1/20 0.34
NR1H2 P55055 1/20 0.33

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
SCHEMBL8595054 1.00 TSHR (0.40) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10513278 0.90 TSHR (0.47) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10513445 0.90 TSHR (0.47) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8598155 0.89 TSHR (0.48) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10506341 0.82 KMT2A (0.50) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10515420 0.77 TSHR (0.57) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8555403 0.77 KMT2A (0.37) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8557608 0.77 KMT2A (0.37) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL10504808 0.73 ASAH1 (0.47) TSHRKMT2ARAB9AALDH1A1MAPT
SCHEMBL8598151 0.71 TLR8 (0.45) TSHRKMT2ARAB9AALDH1A1MAPT

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-0513966-B1 Bis-bibenzimidazole composition ZENECA LTD (GB) 1998-04-29 EP disclosed
US-5258524-A Solvent extraction of zinc IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
EP-0513966-A2 Bis-bibenzimidazole composition ZENECA LIMITED (GB) 1992-11-19 EP disclosed