SCHEMBL11540371

SCHEMBL11540371

CN/C(=N/CCSCc1[nH]cnc1C)NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HRH2 P25021 2/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL11540374 1.00 L3MBTL1 (0.33) L3MBTL1HRH2HRH4HRH3MEN1
Hydrochloric Acid SCHEMBL11535374 0.99 L3MBTL1 (0.35) L3MBTL1HRH2HRH4HRH3MEN1
Hydrochloric Acid SCHEMBL11535376 0.99 L3MBTL1 (0.35) L3MBTL1HRH2HRH4HRH3MEN1
SCHEMBL11537674 0.89 L3MBTL1 (0.35) L3MBTL1HRH2HRH4HRH3MEN1
SCHEMBL11537677 0.89 L3MBTL1 (0.35) L3MBTL1HRH2HRH4HRH3MEN1
SCHEMBL11540890 0.89 HRH2 (0.32) L3MBTL1HRH2HRH4HRH3MEN1
SCHEMBL11540893 0.89 HRH2 (0.32) L3MBTL1HRH2HRH4HRH3MEN1
Hydrochloric Acid SCHEMBL11543085 0.88 L3MBTL1 (0.36) L3MBTL1HRH2HRH4HRH3MEN1
Hydrochloric Acid SCHEMBL11543082 0.88 L3MBTL1 (0.36) L3MBTL1HRH2HRH4HRH3MEN1
SCHEMBL11541822 0.88 HRH2 (0.42) HRH2HRH4HRH3MEN1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160030-A HISTAMINE ANTAGONIST, ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-07-03 — — US disclosed
Send feedback