SCHEMBL28322249

SCHEMBL28322249

C=Cc1ccc(N(C)C)cc1.CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 1/20 0.42
CYP2A13 Q16696 1/20 0.42
HSD17B3 P37058 1/20 0.40
PTGS1 P23219 3/20 0.39
APP P05067 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
JAK2 O60674 1/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL27903429 0.82 HDAC6 (0.42) TDP1ALDH1A1HDAC1TAS1R3TAS1R1
Styrene SCHEMBL27660332 0.80 ALDH1A1 (0.50) TDP1ALDH1A1NPC1GAAMEN1
SCHEMBL27879391 0.78 RAB9A (0.43) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL28502376 0.78 TDP1 (0.43) TDP1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL11414999 0.78 TDP1 (0.42) TDP1ALDH1A1MAPTKDM4ENPC1
SCHEMBL178888 0.77 CYP2A6 (0.58) TDP1CYP2A6CYP2A13HSD17B3PTGS1
Bromide SCHEMBL8864770 0.75 CYP2A6 (0.56) TDP1CYP2A6CYP2A13HSD17B3PTGS1
Hydrochloric Acid SCHEMBL2806293 0.75 CYP2A6 (0.56) TDP1CYP2A6CYP2A13HSD17B3PTGS1
SCHEMBL8864462 0.74 TDP1 (0.64) TDP1CYP2A6CYP2A13PTGS1ALDH1A1
SCHEMBL22341955 0.74 TDP1 (0.39) TDP1ALDH1A1MAPTKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777355-A Amphoteric polyacrylamide microsphere, preparation method and application thereof 中海油田服务股份有限公司 2024-03-29 CN claimed
CN-117430777-A Polyurethane with photoinitiation capability and preparation method and application thereof 浙江工业大学 2024-01-23 CN claimed
CN-112048223-B Anti-fouling, sterilizing and releasing multifunctional response antibacterial surface and preparation method thereof 浙江工业大学 2021-10-08 CN claimed
CN-110330658-B Antibacterial hydrogel with functions of sterilization, low bacterial adhesion and bacterial release and preparation method and application thereof 浙江工业大学 2021-06-22 CN claimed
CN-117777355-A Amphoteric polyacrylamide microsphere, preparation method and application thereof 中海油田服务股份有限公司 2024-03-29 CN disclosed
CN-117430777-A Polyurethane with photoinitiation capability and preparation method and application thereof 浙江工业大学 2024-01-23 CN disclosed
CN-112048223-B Anti-fouling, sterilizing and releasing multifunctional response antibacterial surface and preparation method thereof 浙江工业大学 2021-10-08 CN disclosed
CN-110330658-B Antibacterial hydrogel with functions of sterilization, low bacterial adhesion and bacterial release and preparation method and application thereof 浙江工业大学 2021-06-22 CN disclosed
CN-112048223-A Anti-fouling, sterilizing and releasing multifunctional response antibacterial surface and preparation method thereof 浙江工业大学 2020-12-08 CN disclosed
CN-110330658-A A kind of sterilization, low bacterial adhesion, the anti-bacterial hydrogel of bacterium release and its preparation method and application 浙江工业大学 2019-10-15 CN disclosed