SCHEMBL28306014

SCHEMBL28306014

CCc1cc(C)c(N=C=O)c(CC)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
CYP3A4 P08684 3/20 0.34
TRPA1 O75762 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL28673397 0.93 GABRA1 (0.46) GABRA1GABRB2CYP3A4TRPA1MEN1
SCHEMBL693019 0.91 GABRA1 (0.47) GABRA1GABRB2CYP3A4TRPA1TSHR
SCHEMBL27550639 0.83 GABRA1 (0.50) GABRA1GABRB2CYP3A4TRPA1KMT2A
SCHEMBL17907296 0.80 GABRA1 (0.47) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL28928606 0.80 GABRA1 (0.40) GABRA1GABRB2CYP3A4TRPA1TSHR
SCHEMBL28150572 0.79 GABRA1 (0.50) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL2067757 0.79 GABRA1 (0.38) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL80318 0.79 GABRA1 (0.59) GABRA1GABRB2CYP3A4TSHR
SCHEMBL408440 0.78 GABRA1 (0.48) GABRA1GABRB2CYP3A4TRPA1
SCHEMBL20702519 0.76 GABRA1 (0.61) GABRA1GABRB2CYP3A4TRPA1KMT2A

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-110014715-A Insulation film 艾伦塔斯PDG股份有限公司 2019-07-16 CN disclosed