SCHEMBL9640720

SCHEMBL9640720

CN(C)C=Cc1c(C(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 2/20 0.43
CDC25B P30305 1/20 0.41
NPY5R Q15761 1/20 0.41
HPSE Q9Y251 1/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
RAB9A P51151 3/20 0.39
ACHE P22303 1/20 0.39
HTT P42858 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 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
SCHEMBL9640715 1.00 KDM4E (0.46) KDM4EGLAMEN1KMT2APOLB
SCHEMBL9640701 0.83 SMN1; SMN2 (0.50) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9640703 0.83 SMN1; SMN2 (0.50) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9640731 0.83 ALDH1A1 (0.46) MEN1KMT2ACDC25BMAPTALDH1A1
SCHEMBL9640736 0.83 ALDH1A1 (0.46) MEN1KMT2ACDC25BMAPTALDH1A1
SCHEMBL9640551 0.78 TSHR (0.56) KDM4EGLAMEN1KMT2APOLB
SCHEMBL305920 0.78 TSHR (0.55) KDM4EGLAMEN1KMT2APOLB
SCHEMBL305921 0.78 TSHR (0.55) KDM4EGLAMEN1KMT2APOLB
SCHEMBL306855 0.78 TSHR (0.55) KDM4EGLAMEN1KMT2APOLB
SCHEMBL305927 0.75 ALDH1A1 (0.44) KDM4EGLAMEN1KMT2APOLB

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-5081122-A Antiglaucoma compositions containing 4-arylcarbonyl-1-(4-morpholinyl)-lower-alkyl)-1H-indoles and method of use thereof STERLING DRUG INC. (US) 1992-01-14 US disclosed