SCHEMBL30745965

SCHEMBL30745965

CCCCCCCC[n+]1ccc(C)cc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.63
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APAF1 O14727 1/20 0.42
RGS12 O14924 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPK1 P28482 1/20 0.42
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL30821275 1.00 HTT (0.63) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL30069411 0.94 HTT (0.53) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL31049751 0.92 HTT (0.59) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL31482692 0.88 HTT (0.43) HTTMEN1KMT2ATP53CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL29251955 0.85 HTT (0.67) HTTMEN1KMT2ATP53CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL30330730 0.85 HTT (0.67) HTTMEN1KMT2ATP53CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL29251997 0.85 HTT (0.67) HTTMEN1KMT2ATP53CYP1A2
Trifluoromethanesulfonic Acid SCHEMBL29252670 0.85 HTT (0.67) HTTMEN1KMT2ATP53CYP1A2
SCHEMBL30252245 0.85 ACHE (0.61) HTTMEN1KMT2AMAPTLMNA
SCHEMBL29696465 0.85 ACHE (0.61) HTTMEN1KMT2AMAPTLMNA

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-117683491-A Adhesive composition, adhesive layer, optical film with adhesive layer, and display device 赛登化学株式会社 2024-03-12 CN disclosed