SCHEMBL8667895

SCHEMBL8667895

CCCNC(=O)c1[c]cccc1NC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
MAPT P10636 2/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL8670976 0.91 TSHR (0.50) L3MBTL1ALDH1A1HTTTSHRPOLB
SCHEMBL8666487 0.88 GAA (0.35) L3MBTL1GAAPOLBKDM4EKMT2A
SCHEMBL8669022 0.81 KMT2A (0.46) ALDH1A1GAAHTTPOLBKDM4E
SCHEMBL8672377 0.80 ALDH1A1 (0.38) L3MBTL1ALDH1A1GAAHTTTSHR
SCHEMBL4049576 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1HTTTSHRPOLB
SCHEMBL6882657 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1HTTTSHRPOLB
SCHEMBL5175506 0.75 KDM4E (0.39) L3MBTL1ALDH1A1GAAPOLBKDM4E
SCHEMBL8672251 0.75 ALDH1A1 (0.38) ALDH1A1HTTTSHRPOLBKDM4E
SCHEMBL2577570 0.74 L3MBTL1 (0.64) L3MBTL1ALDH1A1GAAHTTTSHR
SCHEMBL3982704 0.71 TSHR (0.46) L3MBTL1ALDH1A1GAAHTTTSHR

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed