SCHEMBL6152099

SCHEMBL6152099

Cc1c(NCCCN)cccc1NCCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 8/20 0.55
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
IDO1 P14902 1/20 0.46
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HSP90AA1 P07900 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
Bromide SCHEMBL6152621 0.98 KAT2B (0.54) KAT2BMAPTHTTIDO1CA12
SCHEMBL7134896 0.89 KAT2B (0.50) KAT2BMAPTHTTIDO1CA12
SCHEMBL6152131 0.87 CA12 (0.57) KAT2BMAPTHTTIDO1CA12
Bromide SCHEMBL6152417 0.85 CA12 (0.55) KAT2BMAPTHTTIDO1CA12
SCHEMBL19029856 0.83 KAT2B (0.52) KAT2BMAPTHTTCA12CA3
SCHEMBL7559659 0.82 MAPT (0.76) KAT2BMAPTHTTIDO1CA12
SCHEMBL7134112 0.81 KAT2B (0.57) KAT2BMAPTHTTIDO1CA12
SCHEMBL4603846 0.79 ALDH1A1 (0.53) MAPTHTTALDH1A1HSD17B10TSHR
SCHEMBL7996193 0.78 MAPT (0.52) KAT2BMAPTHTTIDO1CA12
SCHEMBL10453654 0.77 MAPT (0.56) KAT2BMAPTHTTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP claimed
EP-0804436-B1 GUANINE DERIVATIVE WELLCOME FOUND (GB) 2005-08-24 EP disclosed
EP-0874631-B1 USE OF VALACICLOVIR FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF GENITAL HERPES BY A SINGLE DAILY APPLICATION GLAXO GROUP LTD (GB) 2003-11-19 EP disclosed
US-6107302-A STORAGE STABLE VALACICLOVIR IN ANHYDROUS CRYSTALLINE FORM; VIRICIDE AGAINST HERPES VIRUS GLAXO WELLCOME INC. (US) 2000-08-22 US disclosed
EP-0806943-B1 VALACICLOVIR TABLETS CONTAINING COLLOIDAL SILICON DIOXIDE WELLCOME FOUND (GB) 2000-03-15 EP disclosed
US-4689374-A Water soluble polyamidoaminepolyamine having weight average molecular weight of at least 5×105 W. R. GRACE & CO. (US) 1987-08-25 US disclosed