SCHEMBL27666643

SCHEMBL27666643

C=CC(c1ccc(C)cc1)S(=O)(=O)n1cc(-c2ccc(Br)cc2)c(OCc2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER1 P34995 5/20 0.32
PDE10A Q9Y233 1/20 0.32
AR P10275 3/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL27666327 0.95 LMNA (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27666310 0.91 CNR1 (0.37) LMNAMAPTSMN1; SMN2ALDH1A1PDE10A
SCHEMBL27685347 0.91 ALDH1A1 (0.36) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL28765462 0.88 PARP10 (0.39) LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL27666424 0.87 AR (0.36) TP53AR
SCHEMBL28761518 0.85 LMNA (0.31) LMNAMAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL28765488 0.85 FFAR1 (0.35) ALDH1A1PTGER1NR1H4CYP2C9
SCHEMBL27685261 0.84 GRM5 (0.32) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27685275 0.84 FFAR1 (0.33) LMNAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL27666580 0.83 AR (0.34) LMNAMAPTALDH1A1TSHRHTT

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