SCHEMBL21290572

SCHEMBL21290572

Cc1cc[n+](CC[n+]2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
CHKA P35790 1/20 0.52
ACHE P22303 5/20 0.48
BCHE P06276 4/20 0.48
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL12533280 0.88 HTT (0.77) HTTCHKAACHEBCHEKDM4E
SCHEMBL18234751 0.88 HTT (0.70) HTTCHKAACHEBCHEKDM4E
SCHEMBL13990105 0.85 HTT (0.54) HTTCHKAACHEBCHETDP1
SCHEMBL4403595 0.85 HTT (0.82) HTTCHKAACHEBCHEKDM4E
SCHEMBL12533274 0.85 HTT (0.82) HTTCHKAACHEBCHEKDM4E
Iodide SCHEMBL1932275 0.85 HTT (0.74) HTTACHEBCHEKDM4ERAB9A
SCHEMBL2863713 0.85 HTT (0.67) HTTCHKAACHEBCHETDP1
SCHEMBL1826398 0.83 HTT (0.52) HTTCHKAACHEBCHETDP1
SCHEMBL10814680 0.83 HTT (0.52) HTTCHKAACHEBCHETDP1
Bromide SCHEMBL30903821 0.83 HTT (0.78) HTTCHKAACHEBCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11059922-B2 Method for cross-linking polymers SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2021-07-13 US disclosed
US-20190256631-A1 METHOD FOR CROSS-LINKING POLYMERS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2019-08-22 US disclosed