SCHEMBL28765488

SCHEMBL28765488

C=CC(c1ccc(C)cc1)S(=O)(=O)n1cc(-c2cccc(Cl)c2)c(OCc2ccccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.35
GRM5 P41594 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
PTGER1 P34995 4/20 0.35
TBXA2R P21731 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTGS2 P35354 1/20 0.34
MAOB P27338 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL27666310 0.90 CNR1 (0.37) GRM5ALDH1A1PSEN1PSEN2APH1B
SCHEMBL27666327 0.89 LMNA (0.36) GRM5KDM4EHPGDALDH1A1PTGS2
SCHEMBL27666288 0.87 PTGER1 (0.36) PTGER1CYP2C9
SCHEMBL27685261 0.86 GRM5 (0.32) FFAR1GRM5ALDH1A1PSEN1PSEN2
SCHEMBL27666643 0.85 LMNA (0.34) PTGER1ALDH1A1NR1H4CYP2C9
SCHEMBL27685347 0.85 ALDH1A1 (0.36) GRM5KDM4EHPGDALDH1A1GAA
SCHEMBL27685439 0.83 KDM4E (0.32) KDM4EHPGDALDH1A1
SCHEMBL27685275 0.82 FFAR1 (0.33) FFAR1GRM5KDM4EHPGDALDH1A1
SCHEMBL28765462 0.82 PARP10 (0.39) ALDH1A1
SCHEMBL2575601 0.82 MAPT (0.51) FFAR1GRM5PTGER1TBXA2RALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN claimed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN claimed
CN-102174017-A Pyrazolyl derivatives in the form of drugs for treating acute or chronic neuronal regressions AVENTIS PHARMA SA 2011-09-07 CN disclosed
CN-1906172-A Pyrazole derivatives as medicaments for the treatment of acute or chronic neuronal degeneration AVENTIS PHARMA SA (FR) 2007-01-31 CN disclosed