SCHEMBL28636600

SCHEMBL28636600

O=C(Nc1c(Cl)cccc1Cl)C(Cl)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.47
KCNQ2 O43526 1/20 0.44
CASR P41180 1/20 0.43
CXCL8 P10145 2/20 0.43
AKR1B10 O60218 1/20 0.43
UGT1A9 O60656 1/20 0.43
TRPA1 O75762 1/20 0.43
ABCB11 O95342 1/20 0.43
MT-CO2 P00403 1/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
UGT1A6 P19224 1/20 0.43
UGT1A1 P22309 1/20 0.43

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
SCHEMBL1715057 0.81 PTGS2 (0.46) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL10465216 0.78 POLB (0.66) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL7052548 0.78 MEN1 (0.44) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL26623625 0.74 PDK1 (0.49) MEN1LMNAKMT2AGAACXCL8
SCHEMBL12780363 0.74 CXCL8 (0.49) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL4970340 0.73 CXCR2 (0.56) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL2093660 0.73 MEN1 (0.56) MEN1LMNAKMT2AMAPTTYK2
SCHEMBL31202585 0.72 CNR1 (0.59) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL29651971 0.72 MAPT (0.53) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL31202691 0.72 MAPT (0.57) MEN1LMNAKMT2AALDH1A1MAPT

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-113402408-A Method for synthesizing diclofenac sodium 河南康达制药有限公司 2021-09-17 CN claimed
CN-113402408-A Method for synthesizing diclofenac sodium 河南康达制药有限公司 2021-09-17 CN disclosed
CN-113402408-A Method for synthesizing diclofenac sodium 河南康达制药有限公司 2021-09-17 CN disclosed