SCHEMBL29652020

SCHEMBL29652020

Clc1cccc(Cl)c1N1CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
MAPT P10636 2/20 0.49
NOTUM Q6P988 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
CDK4 P11802 1/20 0.44
ALOX15 P16050 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL6081885 0.85 MAPT (0.55) GSK3BMAPTLMNATP53MAPK1
SCHEMBL15345494 0.84 DRD3 (0.50) GSK3BMAPTLMNATP53MAPK1
SCHEMBL5715497 0.76 ALDH1A1 (0.53) MAPTNOTUMLMNATP53MAPK1
SCHEMBL23864705 0.74 DRD2 (0.47) MAPTNOTUMALDH1A1ROCK1SMN1; SMN2
SCHEMBL3905172 0.72 ALDH1A1 (0.53) MAPTNOTUMLMNATP53MAPK1
SCHEMBL29542545 0.72 ALDH1A1 (0.53) MAPTNOTUMLMNATP53MAPK1
SCHEMBL11880068 0.72 ROCK1 (0.50) MAPTNOTUMMAPK1MEN1KMT2A
SCHEMBL5064225 0.71 ALDH1A1 (0.52) GSK3BMAPTLMNATP53MAPK1
SCHEMBL30874673 0.71 ALDH1A1 (0.52) MAPTLMNATP53MAPK1MEN1
SCHEMBL9215081 0.71 MEN1 (0.54) MAPTNOTUMLMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539086-A Method for synthesizing diclofenac sodium 复旦大学 2022-05-27 CN claimed
CN-114516813-A Continuous flow preparation method of diclofenac sodium 复旦大学 2022-05-20 CN claimed
CN-113429308-B Synthesis process of diclofenac sodium 安徽普利药业有限公司 2023-07-18 CN disclosed
CN-114539086-A Method for synthesizing diclofenac sodium 复旦大学 2022-05-27 CN disclosed
CN-114539086-A Method for synthesizing diclofenac sodium 复旦大学 2022-05-27 CN disclosed
CN-114516813-A Continuous flow preparation method of diclofenac sodium 复旦大学 2022-05-20 CN disclosed