SCHEMBL8877337

SCHEMBL8877337

CCOC(=O)C1(Cc2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
KMT2A Q03164 5/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 3/20 0.56
GAA P10253 1/20 0.56
FPR2 P25090 3/20 0.56
PROKR1 Q8TCW9 3/20 0.56
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL6520785 0.86 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL743694 0.84 ALDH1A1 (0.60) ALDH1A1KMT2ALMNAMEN1KDM4E
SCHEMBL8877723 0.84 CYP2D6 (0.57) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL2702763 0.83 CYP2D6 (0.64) ALDH1A1KMT2ASMN1; SMN2POLBMEN1
SCHEMBL16864106 0.82 LMNA (0.72) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL12946592 0.82 SMN1; SMN2 (0.71) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL745232 0.82 ALDH1A1 (0.58) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL6521662 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ASMN1; SMN2MEN1GAA
SCHEMBL16111988 0.81 ALDH1A1 (0.74) ALDH1A1KMT2ALMNASMN1; SMN2POLB
SCHEMBL969926 0.81 LMNA (0.67) ALDH1A1KMT2ALMNASMN1; SMN2MEN1

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
US-5618830-A TREATING INFLUENZA, PREVENTING INFECTION BY INFLUENZA VIRUS MERCK & CO., INC. (US) 1997-04-08 US disclosed
US-5475109-A Useful in prevention or treatment of infection by influenza virus MERCK & CO., INC. (US) 1995-12-12 US disclosed