SCHEMBL29089913

SCHEMBL29089913

CC(C)Cc1c[c]c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
TLR7 Q9NYK1 3/20 0.38
GAA P10253 2/20 0.36
ALPL P05186 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TLR8 Q9NR97 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5750423 0.80 KDM4E (0.40) ELANEGAAMEN1KMT2AKDM4E
SCHEMBL29089912 0.77 KDM4E (0.50) ELANETLR7GAATLR8KMT2A
SCHEMBL4857781 0.77 MAPT (0.37) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL7849182 0.75 KDM4E (0.43) TLR7GAATLR8CYP1A2MEN1
SCHEMBL1977035 0.73 KCNH2 (0.47) TLR7GAATLR8LMNAKDM4E
SCHEMBL7953885 0.73 MAPT (0.37) TLR7GAATLR8KMT2ALMNA
SCHEMBL5746414 0.72 KCNH2 (0.50) TLR7GAATLR8LMNAKDM4E
SCHEMBL5746458 0.72 KCNH2 (0.50) TLR7GAATLR8LMNAKDM4E
SCHEMBL5748087 0.72 KCNH2 (0.50) TLR7GAATLR8LMNAKDM4E
SCHEMBL5068847 0.71 TSHR (0.36) GAAMEN1KMT2AKDM4EALDH1A1

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-116478154-A Quinuclidine derivative and preparation method and application thereof 北京大学宁波海洋药物研究院 2023-07-25 CN disclosed