SCHEMBL11264146

SCHEMBL11264146

CCCNC(=NCCSCc1csc(CN(C)C)n1)NC#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.53
▸ BCHE P06276 1/20 0.53
▸ HRH2 P25021 5/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC22A2 O15244 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ APEX1 P27695 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ ATP4B P51164 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL10970044 0.92 ACHE (0.50) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10781080 0.89 ACHE (0.48) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10425977 0.88 ACHE (0.49) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10786658 0.87 ACHE (0.47) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10971171 0.85 ACHE (0.45) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10968645 0.83 CYP3A4 (0.44) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL11492218 0.82 ACHE (0.49) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL11492216 0.82 ACHE (0.49) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL11492219 0.78 ACHE (0.50) ACHEBCHEHRH2CYP3A4CYP2D6
SCHEMBL10969829 0.78 ACHE (0.56) ACHEBCHEHRH2CYP3A4CYP2D6

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
EP-0049618-A1 Improvements in or relating to 2,4-disubstituted thiazole derivatives ELI LILLY AND COMPANY (US) 1982-04-14 — — EP disclosed
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