SCHEMBL8991141

SCHEMBL8991141

CNc1ncnc2c1c(C(N)=[Se])cn2Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
NR1H4 Q96RI1 3/20 0.34
SERPINE1 P05121 2/20 0.33
FLT3 P36888 1/20 0.33
F2R P25116 1/20 0.33
YTHDC1 Q96MU7 1/20 0.33
RET P07949 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL8991264 0.89 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCC8
SCHEMBL8991063 0.89 GAA (0.41) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991388 0.88 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991269 0.87 PI4KA (0.39) ABCC8KCNJ11FLT3F2RRET
SCHEMBL8991138 0.86 ABL1 (0.43) PDE4APDE4BPDE4CPDE4DHDAC1
SCHEMBL8991272 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCC8
SCHEMBL8991152 0.81 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DABCC8
SCHEMBL8991400 0.80 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DRET
SCHEMBL8991225 0.78 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DYTHDC1
SCHEMBL8991231 0.78 GAA (0.41) PDE4APDE4BPDE4CPDE4DYTHDC1

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
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed