SCHEMBL19416652

SCHEMBL19416652

CC[S+]([O-])c1cccc(C(=O)C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
MGLL Q99685 5/20 0.38
KDM2B Q8NHM5 3/20 0.38
KCNH2 Q12809 1/20 0.37
GRM1 Q13255 2/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 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
SCHEMBL25504336 0.80 KMT2A (0.45) MEN1KMT2ACYP2C9ALDH1A1
SCHEMBL10934217 0.78 ALDH1A1 (0.44) KMT2AALDH1A1
SCHEMBL10932989 0.76 HPGD (0.41) MEN1KMT2AALDH1A1
SCHEMBL14067799 0.75 NPSR1 (0.49) MEN1KMT2ANPSR1MGLLKDM2B
SCHEMBL1639877 0.71 HSD11B1 (0.57) MEN1KMT2AMGLLALDH1A1
SCHEMBL6183451 0.71 ALDH1A1 (0.61) MEN1KMT2AMGLLKCNH2ALDH1A1
SCHEMBL3936871 0.70 RAB9A (0.51) KMT2AALDH1A1
SCHEMBL17182643 0.70 APEX1 (0.44) MEN1KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL13859070 0.70 KMT2A (0.50) MEN1KMT2ACYP2C9CYP2C19NPSR1
SCHEMBL31286068 0.69 KMO (0.51) MEN1KMT2ACYP2C9MGLL

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
EP-2709985-B1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS LTD (AU) 2017-10-04 EP disclosed