SCHEMBL9511604

SCHEMBL9511604

Cc1c(OCc2ccccc2)c(=O)ccn1CC(=O)NCCCCNCCCNC(=O)Cn1ccc(=O)c(OCc2ccccc2)c1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NPC1 O15118 2/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 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
SCHEMBL9513558 0.81 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29243860 0.80 HTT (0.65) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21082340 0.80 HTT (0.61) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20382944 0.80 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4951012 0.78 MEN1 (0.59) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8102334 0.78 HTT (0.59) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669363 0.78 HTT (0.68) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11052733 0.77 KDM4E (0.45) HTTSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL21082280 0.77 MEN1 (0.64) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669382 0.75 HTT (0.69) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357150-B1 Pharmaceutical compositions BRITISH TECH GROUP (GB) 1993-12-08 — — EP disclosed
US-5104865-A IRON COMPLEXES OF HYDROXYPYRIDONES USEFUL FOR TREATING IRON OVERLOAD NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-14 — — US disclosed
US-4912118-A Therapy for toxic concentration of metal NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-03-27 — — US disclosed
EP-0357150-A1 Pharmaceutical compositions BTG INTERNATIONAL LIMITED (GB) 1990-03-07 — — EP disclosed
EP-0138421-A2 Hydroxypyridone derivatives and pharmaceutical compositions containing them NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1985-04-24 — — EP disclosed
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