SCHEMBL28075428

SCHEMBL28075428

Nn1cnc2cncnc21.[Cu]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTA4H P09960 1/20 0.35
CYP1A2 P05177 7/20 0.35
ALDH1A1 P00352 6/20 0.35
CYP2C19 P33261 5/20 0.35
CYP3A4 P08684 5/20 0.35
CYP2C9 P11712 5/20 0.35
TSHR P16473 4/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
HBB P68871 1/20 0.35
KMT2A Q03164 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
USP2 O75604 3/20 0.33
CLK4 Q9HAZ1 2/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.31
DNMT3B Q9UBC3 1/20 0.30

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
SCHEMBL5633 0.98 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
Hydrochloric Acid SCHEMBL357698 0.96 FDPS (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
Ethylene Glycol SCHEMBL27806638 0.89 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2
Furan SCHEMBL27694146 0.86 FDPS (0.36) FDPSHDAC1HDAC6LTA4HCYP1A2
Cyclopentane SCHEMBL8169256 0.84 FDPS (0.35) FDPSHDAC1HDAC6LTA4HCYP1A2
Benzil SCHEMBL27862222 0.79 HDAC1 (0.41) FDPSHDAC1HDAC6LTA4HCYP1A2
Benzenesulfonamide SCHEMBL3122181 0.78 CA1 (0.44) FDPSLTA4HCYP1A2ALDH1A1CYP2C19
SCHEMBL27860327 0.77 FDPS (0.42) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL2120550 0.76 FDPS (0.45) FDPSHDAC1HDAC6LTA4HCYP1A2
SCHEMBL28340215 0.74 FDPS (0.44) FDPSHDAC1HDAC6LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105733130-B One kind insulation cold-resistant flexible cable 国网山东省电力公司济南市长清区供电公司 2018-03-06 CN claimed
CN-105733130-A Insulated cold-resistant flexible cable 国网山东省电力公司济南市长清区供电公司 2016-07-06 CN claimed
CN-105733130-B One kind insulation cold-resistant flexible cable 国网山东省电力公司济南市长清区供电公司 2018-03-06 CN disclosed
CN-107747374-A A kind of resistance to irradiation agent of building brick 镇江市太浪新材料科技有限公司 2018-03-02 CN disclosed
CN-107746579-A A kind of preparation method of resistance to irradiation building brick 镇江市太浪新材料科技有限公司 2018-03-02 CN disclosed
CN-105733130-A Insulated cold-resistant flexible cable 国网山东省电力公司济南市长清区供电公司 2016-07-06 CN disclosed
CN-105694192-A High heat resistant and radiation resistant cable sheath material 临海市亚东特种电缆料厂 2016-06-22 CN disclosed