SCHEMBL27679657

SCHEMBL27679657

CC(=O)c1ccccc1Oc1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CAMK2A Q9UQM7 1/20 0.44
PTK2B Q14289 1/20 0.44
ABCB1 P08183 1/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5708950 0.88 LMNA (0.60) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL27698517 0.84 SLC6A2 (0.52) SMN1; SMN2HPGDKMT2ASLC6A2SLC6A4
SCHEMBL7769589 0.83 HTT (0.62) CXCL8ALDH1A1KDM4EHTTHPGD
SCHEMBL27679498 0.83 LMNA (0.45) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL29084606 0.82 ALDH1A1 (0.56) CXCL8LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL28949692 0.81 CXCL8 (0.51) CXCL8ALDH1A1HTTHPGDNPSR1
SCHEMBL10681224 0.81 LMNA (0.53) LMNAALDH1A1SMN1; SMN2KDM4EHTT
Ethylene Glycol SCHEMBL29185194 0.81 LMNA (0.58) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL27679505 0.79 HTT (0.73) LMNAALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL27698525 0.79 SMN1; SMN2 (0.51) LMNAALDH1A1SMN1; SMN2KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-87108295-A New alkane sulfonyl aniline derivative and its medicinal compositions and preparation method 1988-07-13 CN disclosed