SCHEMBL9640701

SCHEMBL9640701

COc1ccc(C(=O)c2cccc([N+](=O)[O-])c2/C=C/N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 6/20 0.46
LMNA P02545 5/20 0.46
HPGD P15428 4/20 0.46
RAF1 P04049 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
GAA P10253 3/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL9640703 1.00 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL9640715 0.83 KDM4E (0.46) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL9640720 0.83 KDM4E (0.46) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL305927 0.81 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL305926 0.81 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL305920 0.79 TSHR (0.55) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL306855 0.79 TSHR (0.55) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL305921 0.79 TSHR (0.55) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL9641254 0.79 L3MBTL1 (0.66) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL8088214 0.79 SMN1; SMN2 (0.71) SMN1; SMN2L3MBTL1ALDH1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278265-B1 1- [(4-Morpholinyl) alkyl] -1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
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
US-4874761-A ANALGESICS STERLING DRUG INC. (US) 1989-10-17 US disclosed
US-4840950-A ANALGESICS STERLING DRUG INC. (US) 1989-06-20 US disclosed