SCHEMBL11766620

SCHEMBL11766620

CCN(CC)CC.CCP(=S)(S)Sc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ KCNH2 Q12809 8/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ LMNA P02545 1/20 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
SCHEMBL11761103 0.92 MEN1 (0.42) MEN1KMT2ANPSR1NPC1MAPT
SCHEMBL11765414 0.85 MEN1 (0.39) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL28056873 0.71 MAPT (0.52) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL11764844 0.71 RAB9A (0.40) MEN1KMT2ANPSR1NPC1MAPT
SCHEMBL26985642 0.70 ALDH1A1 (0.37) NPC1RAB9ALMNA
SCHEMBL7844145 0.68 MEN1 (0.55) MEN1KMT2AKCNH2NPSR1NPC1
SCHEMBL9068394 0.67 IDO1 (0.62) MEN1KMT2AKCNH2NPSR1TSHR
SCHEMBL26985674 0.65 ALDH1A1 (0.44) MEN1KMT2AKCNH2NPSR1MAPT
SCHEMBL3422695 0.63 SLC2A1 (0.58) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL10941418 0.63 ALDH1A1 (0.33) —

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-4005197-A Combating insects, acarids and nematodes with S-alkoxyethyl-phenyl-di- and tri-thiophosphonic acid esters BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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