SCHEMBL30477373

SCHEMBL30477373

CCCc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.43
CTSK P43235 2/20 0.43
CYP19A1 P11511 4/20 0.43
CTSS P25774 1/20 0.43
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNA5 P22460 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR3 O60755 1/20 0.38
GAA P10253 1/20 0.38
ABCB1 P08183 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
SCHEMBL28273598 0.91 ADRA2C (0.44) ADRA2CPTGDR2CTSKCYP19A1CTSS
SCHEMBL8377267 0.90 CYP19A1 (0.43) ADRA2CPTGDR2CTSKCYP19A1CTSS
SCHEMBL4455682 0.89 TSHR (0.48) ADRA2CPTGDR2CTSKCYP19A1CTSS
SCHEMBL5307030 0.88 TSHR (0.50) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL5697352 0.88 TSHR (0.50) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL10340506 0.88 TSHR (0.50) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL9211839 0.88 TSHR (0.50) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL10340558 0.88 TSHR (0.50) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL4664566 0.87 EGLN2 (0.49) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2
SCHEMBL8376943 0.83 TSHR (0.56) ADRA2CPTGDR2CYP19A1CYP11B1CYP11B2

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-116367571-A Electroluminescent device, method of manufacturing the same, display apparatus including the same, and layered structure 三星电子株式会社 2023-06-30 CN disclosed