SCHEMBL13680646

SCHEMBL13680646

CC(=O)Cn1cc(-c2cccc(C)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.46
SOS1 Q07889 1/20 0.43
GRIN2B Q13224 11/20 0.43
TLR8 Q9NR97 1/20 0.41
SRC P12931 1/20 0.41
GRIN1 Q05586 1/20 0.41
TEK Q02763 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
KCNH2 Q12809 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL24342417 0.80 PIK3CD (0.48) TEKKCNH2
SCHEMBL13035814 0.78 PIK3CD (0.50) TLR8TEKKCNH2
SCHEMBL15416616 0.77 IRAK4 (0.52)
SCHEMBL13036040 0.77 PRMT5 (0.47) TEKKCNH2
SCHEMBL15344194 0.75 L3MBTL1 (0.71) TEKKCNH2
SCHEMBL28704298 0.75 ELANE (0.47) GRIN2BTLR8
SCHEMBL6938232 0.74 ALPI (0.54) ALPIALPGPLAA
SCHEMBL12688 0.72 TEK (0.58) TEKKCNH2
SCHEMBL13680717 0.71 FGFR1 (0.40) ALPIALPGPLAA
SCHEMBL16437819 0.71 CREBBP (0.49)

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed