SCHEMBL20121196

SCHEMBL20121196

Nc1ccc(CCNCOc2c3cccc2Cc2cccc4c2OCCOCCOc2ccccc2OCCOCCOc2c(cccc2Cc2cccc(c2OCNCCc2ccc(N)cc2)C4)C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CHRM2 P08172 4/20 0.34
▸ CHRM1 P11229 4/20 0.34
▸ CHRM3 P20309 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADRB2 P07550 1/20 0.31
▸ ADRB1 P08588 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL20121195 0.72 CD69 (0.33) SMN1; SMN2KDM4EGAAMAPTMAOA
SCHEMBL20121194 0.72 SMN1; SMN2 (0.42) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626907 0.70 GSTA1 (0.43) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626909 0.70 GSTA1 (0.43) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626904 0.70 GSTA1 (0.43) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL20121193 0.69 NFE2L2 (0.32) —
SCHEMBL20121197 0.69 SMN1; SMN2 (0.40) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626906 0.67 SMN1; SMN2 (0.37) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626908 0.66 SMN1; SMN2 (0.36) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL2626911 0.65 ALDH1A1 (0.36) LMNACRHBPCRHR2SMN1; SMN2HTT

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-9966157-B2 Solid-liquid process for extraction of radionuclides from waste solutions COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-05-08 — — US disclosed
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