SCHEMBL8555403

SCHEMBL8555403

Cc1cc2nc(-c3nc4cc(C)c(C)cc4n3C(=O)OCCCCCCCCCCCCCCCC(C)C)n(C(=O)OCCCCCCCCCCCCCCCC(C)C)c2cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
USP2 O75604 1/20 0.37
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.33
RARB P10826 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ATM Q13315 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8557608 1.00 KMT2A (0.37) KMT2AMAPTMEN1KDM4EUSP2
SCHEMBL10513278 0.83 TSHR (0.47) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL10513445 0.83 TSHR (0.47) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL8554257 0.77 TSHR (0.40) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL8595054 0.77 TSHR (0.40) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL10506341 0.75 KMT2A (0.50) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL4627330 0.70 TSHR (0.45) KMT2AKDM4ETDP1POLBRARB
SCHEMBL10504808 0.69 ASAH1 (0.47) KMT2AMAPTMEN1KDM4EHTT
SCHEMBL10515420 0.68 TSHR (0.57) KMT2AMAPTMEN1KDM4EPOLB
SCHEMBL29444061 0.65 ESR1 (0.42) KMT2AKDM4ETDP1RARBLMNA

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
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