SCHEMBL19957553

SCHEMBL19957553

Cc1ccnc(NC2CCN(I)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
NOS2 P35228 7/20 0.61
NOS1 P29475 6/20 0.61
NOS3 P29474 4/20 0.61
HRH4 Q9H3N8 3/20 0.47
PHGDH O43175 2/20 0.44
PDE10A Q9Y233 1/20 0.44
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
BRD4 O60885 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
MAPK14 Q16539 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15830500 0.88 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL827883 0.85 ALDH1A1 (0.83) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL15830498 0.82 ALDH1A1 (0.90) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL13922609 0.82 KDM4E (0.97) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL15829837 0.82 KDM4E (0.63) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL13922608 0.81 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL15829843 0.80 NOS2 (0.73) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL15829838 0.80 KDM4E (0.61) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL7698244 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1NOS2NOS1
SCHEMBL828268 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1NOS2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935247-B1 PRMT5 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2019-08-28 EP disclosed
EP-3498701-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2019-06-19 EP disclosed
EP-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed