SCHEMBL9764480

SCHEMBL9764480

CN(C)C(=O)c1ccc(C#CCOCCCCCCNCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPK1 P28482 2/20 0.41
MAOA P21397 1/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
CHRM2 P08172 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
P4HB P07237 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACACB O00763 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9764451 0.85 SMN1; SMN2 (0.45) KDM4EMAPK1MAOAMITFGAA
SCHEMBL10477796 0.81 KDM4E (0.40) KDM4EMAPK1MAOAHDAC3HDAC1
SCHEMBL9764455 0.81 MAOA (0.40) KDM4EMAPK1MAOAHDAC3HDAC1
SCHEMBL9764397 0.79 ACACB (0.43) MMP2MMP12MAPK1GAAACACB
SCHEMBL9763136 0.79 DRD4 (0.47) KDM4EMAPK1MAOACHRM2MITF
SCHEMBL9763494 0.78 DRD2 (0.47) MAOACHRM2BCHEACHESIGMAR1
SCHEMBL9764499 0.77 KDM4E (0.45) KDM4EMAPK1MAOAHDAC3HDAC1
SCHEMBL9763710 0.74 SIGMAR1 (0.43) MAOACHRM2SIGMAR1
SCHEMBL9318691 0.74 SLC2A1 (0.48) KDM4EMAOACHRM2BCHEALDH1A1
SCHEMBL10390183 0.73 KDM4E (0.54) KDM4EMAPK1MITFGAAP4HB

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