SCHEMBL27640792

SCHEMBL27640792

[CH]=Cc1ccc(N2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.63
TRIM33 Q9UPN9 1/20 0.63
ALDH1A1 P00352 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
PTGS2 P35354 3/20 0.53
MAPT P10636 5/20 0.52
ACHE P22303 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
RECQL P46063 2/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL2905292 0.98 ALDH1A1 (0.64) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2904811 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTMEN1
SCHEMBL13766546 0.81 TRIM24 (0.68) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2174173 0.80 ALDH1A1 (0.67) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7718267 0.79 ALDH1A1 (0.69) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7718270 0.79 ALDH1A1 (0.69) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL98716 0.77 TRIM24 (0.63) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL253732 0.77 TRIM24 (1.00) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL29475563 0.77 ALDH1A1 (0.71) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6887590 0.77 ALDH1A1 (0.71) TRIM24TRIM33ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1756744-A Pyridinium salts, compounds and methods of use MYCOSOL INC (US) 2006-04-05 CN claimed
CN-1756744-A Pyridinium salts, compounds and methods of use MYCOSOL INC (US) 2006-04-05 CN disclosed