SCHEMBL6828922

SCHEMBL6828922

Cc1ccc(C(=O)Nc2cc[c]cc2)c(N2CCSC2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 6/20 0.48
PTPN11 Q06124 1/20 0.41
PDE4B Q07343 1/20 0.35
KIF18A Q8NI77 6/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL6828987 0.93 SCN10A (0.52) SCN10APTPN11PDE4BKIF18AALDH1A1
SCHEMBL6829403 0.84 SCN10A (0.63) SCN10APTPN11KIF18AMAPTALDH1A1
SCHEMBL6825969 0.81 SCN10A (0.52) SCN10AKIF18AMAPTALDH1A1KDM4E
SCHEMBL6831083 0.78 SCN10A (0.51) SCN10APTPN11KIF18A
SCHEMBL6646240 0.77 RAB9A (0.39) SCN10APTPN11MAPTALDH1A1L3MBTL1
SCHEMBL6645260 0.74 PTPN11 (0.38) SCN10APTPN11KIF18AALDH1A1KDM4E
SCHEMBL6647476 0.71 SCN10A (0.46) SCN10APTPN11KIF18AALDH1A1KDM4E
SCHEMBL6644850 0.70 PTPN11 (0.42) SCN10APTPN11KIF18AALDH1A1KDM4E
SCHEMBL6645593 0.70 MAPT (0.48) SCN10APTPN11MAPTALDH1A1KDM4E
SCHEMBL6829509 0.70 L3MBTL1 (0.40) SCN10AMAPTALDH1A1KDM4EKMT2A

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
WO-2004039795-A2 AMIDE COMPOUNDS FOR THE TREATMENT OF HYPERLIPIDEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-13 WO disclosed