SCHEMBL18568567

SCHEMBL18568567

Cc1nc(C)c2c(n1)CCCCC2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
HPGD P15428 1/20 0.47
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ACHE P22303 3/20 0.43
MAPK1 P28482 2/20 0.43
BPTF Q12830 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
GFER P55789 1/20 0.38
BCHE P06276 1/20 0.38
GRIN1 Q05586 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
SCHEMBL13153128 0.98 KDM4E (0.63) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL5440063 0.93 KDM4E (0.57) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL29338978 0.79 KDM4E (0.57) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL19661006 0.78 KDM4E (0.42) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL11710488 0.76 KDM4E (0.59) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL24359163 0.76 KDM4E (0.53) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL13523663 0.76 KDM4E (0.59) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL10513696 0.76 KDM4E (0.44) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL22161611 0.76 KDM4E (0.59) KDM4EHPGDNOS3NOS1NOS2
SCHEMBL6397072 0.76 KDM4E (0.59) KDM4EHPGDNOS3NOS1NOS2

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-3135676-A1 ELECTROLUMINESCENT ORGANIC COMPOUNDS FOR ORGANIC ELECTRIC ELEMENTS AND ELECTRONIC DEVICES Duk San Neolux Co., Ltd. (KR) 2017-03-01 EP disclosed