SCHEMBL20537308

SCHEMBL20537308

COCCC(=O)N1CCc2cc(C(=O)NCc3ccccc3)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NPC1 O15118 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 2/20 0.48
NAMPT P43490 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAP3K5 Q99683 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46

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
SCHEMBL20536415 0.91 L3MBTL1 (0.53) L3MBTL1ALDH1A1NPC1KMT2AMAPT
SCHEMBL20536802 0.90 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL14871708 0.85 KDM4E (0.62) KDM4EALDH1A1NPC1KMT2ASMN1; SMN2
SCHEMBL20537077 0.82 USP30 (0.49) KDM4EL3MBTL1ALDH1A1NPC1KMT2A
SCHEMBL1980829 0.81 HDAC6 (0.53) KDM4EALDH1A1NPC1KMT2AMAPT
SCHEMBL20537300 0.80 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1KMT2AMAPTNAMPT
SCHEMBL1787470 0.80 ALDH1A1 (0.56) KDM4EL3MBTL1ALDH1A1NPC1KMT2A
SCHEMBL1789738 0.78 SMN1; SMN2 (0.55) KDM4ENPC1KMT2AMAPTSMN1; SMN2
SCHEMBL1028559 0.77 KMT2A (0.59) NPC1KMT2AMAPTNAMPTTDP1
SCHEMBL1790748 0.77 KDM4E (0.54) KDM4EALDH1A1NPC1KMT2AMAPT

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
EP-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP claimed