SCHEMBL28875834

SCHEMBL28875834

CN1C=CN(CCCc2ccccc2)C1.F[Sb-](F)(F)(F)(F)F.[H+]

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.46
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL869648 0.92 SIGMAR1 (0.53) SIGMAR1POLBLTA4HOPRM1
SCHEMBL28316372 0.91 SIGMAR1 (0.46) SIGMAR1POLBLTA4HOPRM1
Hydrochloric Acid SCHEMBL5835820 0.91 SIGMAR1 (0.51) SIGMAR1POLBLTA4H
SCHEMBL28316881 0.82 POLB (0.45) SIGMAR1POLBOPRM1
SCHEMBL925003 0.82 SLC6A3 (0.46) SIGMAR1L3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL28315387 0.81 SIGMAR1 (0.40) SIGMAR1LTA4HOPRM1
SCHEMBL29069617 0.81 MC4R (0.41) SIGMAR1POLB
SCHEMBL28230069 0.81 KCNH2 (0.48) SIGMAR1
Hydrochloric Acid SCHEMBL2761296 0.80 SLC6A3 (0.44) SIGMAR1
SCHEMBL28719274 0.76 MAOA (0.51) SIGMAR1

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-110198962-A Method for preparing graft copolymer composite, and thermoplastic resin composition comprising the same 株式会社LG化学 2019-09-03 CN disclosed