SCHEMBL9764548

SCHEMBL9764548

CN(c1ccc(C#CCOCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
SPPL2A Q8TCT8 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
BACE1 P56817 1/20 0.31
NR1H3 Q13133 1/20 0.30
BCHE P06276 3/20 0.30
ACHE P22303 3/20 0.30
KDM4E B2RXH2 2/20 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
SCHEMBL9764279 0.86 NR1H3 (0.35) NR1H3BCHEACHEKDM4E
SCHEMBL9764538 0.84 HPGD (0.35) NR1H3BCHEACHEKDM4E
SCHEMBL9764422 0.83 LTA4H (0.37) KCNH2KDM4E
SCHEMBL9319139 0.82 MAOB (0.38) NR1H3
SCHEMBL10466615 0.81 NR1H3 (0.34) KCNH2NR1H3BCHEACHEKDM4E
SCHEMBL10466515 0.80 SPPL2A (0.35) KCNH2PSEN1PSEN2SPPL2AAPH1B
SCHEMBL10466852 0.80 KCNH2 (0.36) KCNH2PSEN1PSEN2SPPL2AAPH1B
SCHEMBL9764569 0.80 SNCA (0.38)
SCHEMBL10468372 0.80 NR1H3 (0.33) NR1H3BCHEACHEKDM4E
SCHEMBL10466337 0.79 NR1H3 (0.31) NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed