SCHEMBL11545751

SCHEMBL11545751

Cc1[nH]cnc1CSCCCl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
SLC47A1 Q96FL8 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HRH2 P25021 3/20 0.48
MEN1 O00255 1/20 0.48
SLC22A2 O15244 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
ATP4A P20648 1/20 0.48
APEX1 P27695 1/20 0.48
PDE4A P27815 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA1A P35348 1/20 0.48
ATP4B P51164 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC47A2 Q86VL8 1/20 0.48

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
Hydrochloric Acid SCHEMBL11545099 0.98 L3MBTL1 (0.71) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL6905968 0.85 L3MBTL1 (0.72) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL11544569 0.82 L3MBTL1 (0.68) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL9574691 0.82 L3MBTL1 (0.97) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Bromide SCHEMBL11190708 0.81 L3MBTL1 (0.93) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Hydrochloric Acid SCHEMBL10754189 0.81 L3MBTL1 (1.00) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Hydrochloric Acid SCHEMBL11545200 0.81 L3MBTL1 (0.71) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL9866890 0.79 L3MBTL1 (0.79) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
Bromide SCHEMBL9865390 0.78 L3MBTL1 (0.77) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1
SCHEMBL10678280 0.78 L3MBTL1 (0.62) L3MBTL1SLC47A1SMN1; SMN2HRH2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4173644-A HISTAMINE ANTAGONISTS, ANTIINFLAMMATORY AGENTS, ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-11-06 US disclosed
US-4120972-A HISTAMINE HYDROGEN-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-17 US disclosed
US-4120966-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-10-17 US disclosed