SCHEMBL9764451

SCHEMBL9764451

CN(C)C(=O)COc1ccc(C#CCOCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 6/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
P4HB P07237 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LTA4H P09960 5/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
BCHE P06276 2/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
MAOB P27338 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL9764480 0.85 MMP2 (0.43) KDM4EMITFGAAMAPK1P4HB
SCHEMBL9763136 0.83 DRD4 (0.47) SMN1; SMN2KDM4EMITFGAAMAPK1
SCHEMBL9764455 0.78 MAOA (0.40) KDM4EMITFGAAMAPK1P4HB
SCHEMBL9763494 0.76 DRD2 (0.47) SMN1; SMN2NPC1BCHEMAOAACHE
SCHEMBL9318691 0.76 SLC2A1 (0.48) KDM4EKMT2AALDH1A1MEN1BCHE
SCHEMBL9764499 0.74 KDM4E (0.45) KDM4EMITFGAAMAPK1P4HB
SCHEMBL9764397 0.73 ACACB (0.43) SMN1; SMN2GAAMAPK1LMNAALDH1A1
SCHEMBL9763710 0.72 SIGMAR1 (0.43) SMN1; SMN2NPC1MAOA
SCHEMBL10477796 0.71 KDM4E (0.40) KDM4EMITFGAAMAPK1P4HB
SCHEMBL9764540 0.71 SIGMAR1 (0.55) KDM4EMAPK1KMT2AMEN1BCHE

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