SCHEMBL28633628

SCHEMBL28633628

Cc1c(-c2cccc3[nH]nnc23)cccc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.35
TRPA1 O75762 1/20 0.35
NOTUM Q6P988 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CA2 P00918 1/20 0.32
AXL P30530 1/20 0.32
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL28360108 0.87 TRPA1 (0.42) KIF11TRPA1GABRA1GABRB2CA2
SCHEMBL6067791 0.84 KIF11 (0.35) KIF11TRPA1CA2AXLCYP3A4
SCHEMBL29287400 0.84 CA2 (0.39) GABRA1GABRB2CA2MGAMGAA
SCHEMBL7143644 0.83 CA2 (0.47) KIF11TRPA1GABRA1GABRB2CA2
SCHEMBL702107 0.81 KIF11 (0.42) KIF11TRPA1GABRA1GABRB2CA2
SCHEMBL31619990 0.81 METAP2 (0.38) AXLCYP3A4CYP2C9
SCHEMBL30556736 0.81 METAP2 (0.38) AXLCYP3A4CYP2C9
SCHEMBL16398496 0.79 MGAM (0.40) TRPA1MGAMGAASIMGAM2
SCHEMBL6528134 0.78 TRPA1 (0.33) KIF11TRPA1CYP3A4CYP2C9CYP2C19
SCHEMBL28448937 0.78 TRPA1 (0.33) KIF11TRPA1

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
CN-113383048-A Antireflection film with adhesive layer, self-luminous display device, and method for producing same 日东电工株式会社 2021-09-10 CN disclosed
CN-113260509-A Laminate, optical film, image display device, and method for manufacturing same 日东电工株式会社 2021-08-13 CN disclosed