SCHEMBL28065392

SCHEMBL28065392

[CH2]C(O)n1cnc2cncnc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTA4H P09960 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
DNMT3B Q9UBC3 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL5670151 0.81 FDPS (0.41) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL30539287 0.78 ADORA2A (0.47) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL754943 0.78 ADORA2A (0.47) FDPSHDAC1HDAC6ALDH1A1MEN1
SCHEMBL14993002 0.78 FDPS (0.43) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL28186936 0.78 FDPS (0.43) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL28038040 0.76 FDPS (0.43) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL5025564 0.75 FDPS (0.41) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL28049559 0.75 FDPS (0.44) FDPSHDAC1HDAC6LTA4HMKNK2
SCHEMBL29389178 0.74 FDPS (0.41) FDPSHDAC1HDAC6DNMT3B
SCHEMBL1831228 0.73 USP5 (0.48) FDPSHDAC1HDAC6LTA4HMKNK2

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
CN-105481659-A Method for compounding drug intermediate 2-ethoxy naphthalene of sodium nafcillin CHENGDU CARDIFF SCIENCE AND TECH CO LTD 2016-04-13 CN disclosed