SCHEMBL18234751

SCHEMBL18234751

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.70
BCHE P06276 9/20 0.54
ACHE P22303 9/20 0.54
CHKA P35790 1/20 0.48
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 0.94 HTT (0.77) HTTBCHEACHECHKAMEN1
SCHEMBL12533274 0.92 HTT (0.82) HTTBCHEACHECHKAMEN1
Iodide SCHEMBL1932275 0.92 HTT (0.74) HTTBCHEACHEMEN1TP53
SCHEMBL4403595 0.92 HTT (0.82) HTTBCHEACHECHKAMEN1
Bromide SCHEMBL30903821 0.89 HTT (0.78) HTTBCHEACHECHKAMEN1
SCHEMBL21290572 0.88 HTT (0.61) HTTBCHEACHECHKAMEN1
SCHEMBL294354 0.87 HTT (0.83) HTTACHEMEN1TP53CYP1A2
Water SCHEMBL2150255 0.85 HTT (0.79) HTTACHEMEN1TP53CYP1A2
Hydrochloric Acid SCHEMBL244803 0.85 HTT (0.79) HTTACHEMEN1TP53CYP1A2
SCHEMBL12669530 0.85 HTT (0.59) HTTBCHEACHECHKAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941974-B1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS IT (IT) 2023-11-08 EP disclosed
EP-3532512-B1 METHOD FOR CROSS-LINKING POLYMERS SOLVAY SPECIALTY POLYMERS IT (IT) 2023-06-07 EP disclosed
WO-2016180660-A1 FLUOROELASTOMER COMPOSITION SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2016-11-17 WO disclosed