SCHEMBL28201986

SCHEMBL28201986

CCCCCCCCCCCCCCCCn1c(C)nc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.39
TSHR P16473 2/20 0.36
PNP P00491 1/20 0.36
TP53 P04637 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
NPC1 O15118 2/20 0.34
S1PR2 O95136 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL27967373 1.00 TLR8 (0.39) TLR8TSHRPNPTP53PTGS1
SCHEMBL7515138 1.00 TLR8 (0.39) TLR8TSHRPNPTP53PTGS1
SCHEMBL9661568 1.00 TLR8 (0.39) TLR8TSHRPNPTP53PTGS1
SCHEMBL27971467 1.00 TLR8 (0.39) TLR8TSHRPNPTP53PTGS1
Hydrochloric Acid SCHEMBL28575648 0.98 TLR8 (0.38) TLR8TSHRPNPTP53NPC1
Bromide SCHEMBL28366707 0.98 TLR8 (0.38) TLR8TSHRPNPNPC1S1PR2
Hydrochloric Acid SCHEMBL29011515 0.98 TLR8 (0.38) TLR8TSHRPNPTP53NPC1
Hydrochloric Acid SCHEMBL29027485 0.96 TLR8 (0.37) TLR8TSHRTP53CYP1A2CYP3A4
SCHEMBL29089622 0.93 TLR8 (0.36) TLR8TSHRPNPTP53
SCHEMBL7806764 0.92 TSHR (0.40) TLR8TSHRSMN1; SMN2MEN1CYP1A2

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-113546523-B PVDF ultrafiltration membrane of composite Ag @ BiOBr photocatalytic material and preparation method and application thereof 上海师范大学 2023-03-31 CN claimed
CN-113546523-A PVDF ultrafiltration membrane of composite Ag @ BiOBr photocatalytic material as well as preparation method and application of PVDF ultrafiltration membrane 上海师范大学 2021-10-26 CN claimed
CN-113546523-B PVDF ultrafiltration membrane of composite Ag @ BiOBr photocatalytic material and preparation method and application thereof 上海师范大学 2023-03-31 CN disclosed
CN-112980162-B Montmorillonite modified PET high-temperature-resistant optical polyester material and preparation method thereof 西南科技大学 2022-04-15 CN disclosed
CN-113546523-A PVDF ultrafiltration membrane of composite Ag @ BiOBr photocatalytic material as well as preparation method and application of PVDF ultrafiltration membrane 上海师范大学 2021-10-26 CN disclosed
CN-112980162-A Montmorillonite modified PET high-temperature-resistant optical polyester material and preparation method thereof 西南科技大学 2021-06-18 CN disclosed
CN-107758756-A A kind of environmentally friendly water treatment agent 中国地质大学(北京) 2018-03-06 CN disclosed