SCHEMBL28600272

SCHEMBL28600272

COC(CC#N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.51
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.38
THRB P10828 1/20 0.37
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 4/20 0.36
CYP2D6 P10635 3/20 0.36
NOS2 P35228 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PMP22 Q01453 1/20 0.35
CTSS P25774 2/20 0.34

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
SCHEMBL2974616 0.81 PBRM1 (0.41) PBRM1TSHRTRPA1THRBSLC6A2
SCHEMBL2571472 0.80 KMT2A (0.38) PBRM1TSHRTHRBSLC6A2SLC6A4
SCHEMBL10400854 0.79 AOC3 (0.57) PBRM1TSHRSLC6A2SLC6A4CYP2D6
SCHEMBL28393502 0.78 SLC6A4 (0.50) PBRM1TSHRSLC6A2SLC6A4CYP2D6
Iodomethane SCHEMBL18703954 0.78 AOC3 (0.50) PBRM1TSHRSLC6A2SLC6A4CYP2D6
SCHEMBL734453 0.77 PBRM1 (0.41) PBRM1TSHRTRPA1SLC6A2SLC6A4
SCHEMBL7552631 0.77 PABPC1 (0.50) PBRM1TSHRKMT2AMEN1CYP3A4
SCHEMBL2208580 0.77 PABPC1 (0.50) PBRM1TSHRKMT2AMEN1CYP3A4
SCHEMBL28264000 0.77 PBRM1 (0.42) PBRM1TSHRTRPA1KMT2AMEN1
SCHEMBL6343043 0.76 SLC6A4 (0.41) TSHRTRPA1THRBSLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112920062-A Method for synthesizing venlafaxine by using fixed bed hydrogenation equipment 合肥立方制药股份有限公司 2021-06-08 CN claimed
CN-112920062-A Method for synthesizing venlafaxine by using fixed bed hydrogenation equipment 合肥立方制药股份有限公司 2021-06-08 CN disclosed
CN-112920062-A Method for synthesizing venlafaxine by using fixed bed hydrogenation equipment 合肥立方制药股份有限公司 2021-06-08 CN disclosed