SCHEMBL10738679

SCHEMBL10738679

O=[N+]([O-])C1=C(NCCSCc2c[nH]cn2)NCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.31
ACHE P22303 2/20 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
SCHEMBL10734952 0.82 BCHE (0.41) BCHEACHE
SCHEMBL10737316 0.79 TERT (0.32)
SCHEMBL10735988 0.78 SLC47A1 (0.55)
SCHEMBL10741417 0.77 SLC47A1 (0.38)
SCHEMBL10733534 0.77 SLC47A1 (0.38)
SCHEMBL10737226 0.75 SLC47A1 (0.34) BCHEACHE
SCHEMBL10734457 0.75 SLC47A1 (0.38) BCHEACHE
SCHEMBL10737576 0.75 SLC47A1 (0.34) BCHEACHE
SCHEMBL10741729 0.74 KMT2A (0.36) BCHEACHE
SCHEMBL10739507 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4656176-A 2-thiazolyl, oxazolyl, triazolyl and thiadiazolyl alkylamino-3-nitro-heterocyclic compounds SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-07 US disclosed
US-4525477-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-25 US disclosed
US-4405624-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-09-20 US disclosed
EP-0005984-B1 NITRO COMPOUNDS, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-22 EP disclosed
US-4324789-A 1-Benzyl-5-nitro-4-(pyridyl or imidazolyl) alkylamino-1,2,3,6-tetrahydropyrimidines and blocking of histamine H2 SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-13 US disclosed
US-4238493-A HISTAMINE H2-RECEPTOR ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-12-09 US disclosed
EP-0005984-A1 Nitro compounds, processes for preparing them and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-12-12 EP disclosed