SCHEMBL29111131

SCHEMBL29111131

CC(C#N)=CC1CC(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
HSD11B1 P28845 1/20 0.35
AKR1C3 P42330 1/20 0.35
GLS O94925 1/20 0.33
S100A4 P26447 1/20 0.33
POLB P06746 1/20 0.32
HTR2C P28335 4/20 0.32
PIM1 P11309 1/20 0.32
KMT2A Q03164 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
NOTUM Q6P988 1/20 0.30
AXL P30530 1/20 0.30
P2RX7 Q99572 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
SCHEMBL2955165 0.85 AR (0.36) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL30991817 0.85 AR (0.36) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL2354458 0.72 S100A4 (0.41) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL2955162 0.68 GLS (0.38) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL2955164 0.68 GLS (0.38) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL12405330 0.67 S100A4 (0.47) ADORA3ARHSD11B1AKR1C3S100A4
SCHEMBL15971135 0.67 PIM1 (0.44) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL15107233 0.66 GLS (0.46) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL19302757 0.66 AR (0.46) ADORA3ARHSD11B1AKR1C3GLS
SCHEMBL30737888 0.66 AR (0.46) ADORA3ARHSD11B1AKR1C3GLS

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-111315796-B Organic semiconductor compound 天光材料科技股份有限公司 2023-11-24 CN disclosed
CN-111315796-A Organic semiconductor compound 默克专利股份有限公司 2020-06-19 CN disclosed