SCHEMBL11391998

SCHEMBL11391998

C/N=C(\NCCSCc1cccnc1)NCCSCc1nc[nH]c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC47A1 Q96FL8 2/20 0.62
▸ HRH2 P25021 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ SLC22A2 O15244 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ GLA P06280 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ ATP4A P20648 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ ADRA1A P35348 1/20 0.62
▸ ATP4B P51164 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ SLC47A2 Q86VL8 1/20 0.62
▸ SLC22A8 Q8TCC7 1/20 0.62

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
SCHEMBL11392002 1.00 SLC47A1 (0.62) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11397500 0.87 SLC47A1 (0.53) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11392007 0.87 HRH2 (0.50) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11385250 0.87 SLC47A1 (0.80) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11422948 0.83 HRH2 (0.49) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11422956 0.83 HRH2 (0.49) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11422953 0.83 HRH2 (0.49) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL10852820 0.83 SLC47A1 (0.74) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11384492 0.82 HRH2 (0.64) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2
SCHEMBL11384488 0.82 HRH2 (0.64) SLC47A1HRH2SMN1; SMN2MEN1SLC22A2

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
US-4282234-A HISTAMINE BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-08-04 — — US disclosed
US-4191769-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-03-04 — — US disclosed
US-4170652-A USED TO BLOCK HISTAMINE H2 RECEPTORS ANTISECRETORY, ANTIINFLAMMATORY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-09 — — US disclosed
US-4118496-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-03 — — US disclosed
US-4109003-A N-(IMIDAZOLYL-METHYLTHIO-ALKYL) DERIVATIVES OF S-ALKYL ISOTHIOUREAS; ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-22 — — US disclosed
US-4107319-A GUANIDINES, BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-15 — — US disclosed
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