SCHEMBL17090080

SCHEMBL17090080

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](CNCCSCc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.48
LMNA P02545 3/20 0.42
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 7/20 0.40
ALDH1A1 P00352 8/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALOX12 P18054 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL13564758 1.00 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL17090084 0.93 LMNA (0.53) RECQLLMNAHPGDALDH1A1CYP1A2
SCHEMBL13564755 0.93 LMNA (0.53) RECQLLMNAHPGDALDH1A1CYP1A2
SCHEMBL10133357 0.85 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL13203780 0.85 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL13565006 0.85 RECQL (0.48) RECQLLMNAMAPTHTTSMN1; SMN2
SCHEMBL17090091 0.84 MAPT (0.43) LMNAMAPTHTTSMN1; SMN2HPGD
SCHEMBL13565711 0.84 MAPT (0.43) LMNAMAPTHTTSMN1; SMN2HPGD
SCHEMBL10133712 0.79 LMNA (0.53) LMNAHPGDALDH1A1CYP1A2CYP3A4
SCHEMBL13222421 0.79 RECQL (0.42) RECQLLMNAMAPTHTTSMN1; SMN2

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
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed