SCHEMBL28396396

SCHEMBL28396396

C[N+]1=CN(Cc2ccccc2)CC1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
SIGMAR1 Q99720 4/20 0.40
MC4R P32245 1/20 0.39
ACHE P22303 1/20 0.37
NOTUM Q6P988 1/20 0.36
DRD4 P21917 2/20 0.34
GBA1 P04062 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 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
SCHEMBL1836416 0.93 LMNA (0.46) POLBLMNASIGMAR1MC4RACHE
SCHEMBL1844821 0.79 DRD4 (0.35) POLBLMNASIGMAR1MC4RACHE
SCHEMBL1844820 0.76 MAPK1 (0.35) POLBLMNASIGMAR1MC4RACHE
SCHEMBL13319085 0.71 SIGMAR1 (0.44) POLBLMNASIGMAR1MC4RACHE
SCHEMBL26646397 0.67 MC4R (0.41) POLBLMNASIGMAR1MC4RACHE
SCHEMBL2228270 0.67 SIGMAR1 (0.56) POLBLMNASIGMAR1MC4RACHE
SCHEMBL26597835 0.65 SIGMAR1 (0.65) POLBLMNASIGMAR1MC4RDRD4
Ethylbenzene SCHEMBL16110177 0.64 TP53 (0.78) POLBACHEALDH1A1KMT2ACYP1A2
SCHEMBL26597845 0.63 ACHE (0.86) POLBLMNASIGMAR1MC4RACHE
SCHEMBL1936134 0.62 SIGMAR1 (0.50) POLBLMNASIGMAR1MC4RACHE

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-106232755-B Adhesive sheet and optical member 日东电工株式会社 2020-05-22 CN disclosed