SCHEMBL8598151

SCHEMBL8598151

CCCCCCCCCCCCCOC(=O)n1c(-c2nc3c(C)cccc3n2C(=O)OCCCCCCCCCCCCC)nc2c(C)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
TSHR P16473 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MMP2 P08253 1/20 0.41
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
KDM4E B2RXH2 3/20 0.40
KDM4A O75164 1/20 0.40
KDM4C Q9H3R0 1/20 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
SCHEMBL8598155 0.82 TSHR (0.48) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL10515420 0.82 TSHR (0.57) TLR8TSHRKMT2ALMNAALDH1A1
SCHEMBL8554726 0.77 ESR1 (0.44) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL7351293 0.77 BCHE (0.44) TLR8TSHRKMT2AALDH1A1RAB9A
SCHEMBL11753672 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL11749159 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL11747508 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL11747519 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL11777317 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A
SCHEMBL11751433 0.71 KDM4E (0.53) TSHRKMT2ALMNAALDH1A1RAB9A

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