SCHEMBL9500423

SCHEMBL9500423

CN(C)c1ccc2[s+]c3ccccc3nc2c1N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.35
HCRTR1 O43613 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM1A O60341 3/20 0.33
NCF1 P14598 1/20 0.33
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
CNR2 P34972 1/20 0.31

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
Hydrochloric Acid SCHEMBL3633973 0.98 ALDH1A1 (0.37) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL4756517 0.81 MAPT (0.39) ALDH1A1KDM4EPOLBGAAMEN1
Hydrochloric Acid SCHEMBL1813007 0.80 MAPT (0.38) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL13386155 0.71 KDM1A (0.36) ALDH1A1KDM4EPOLBMEN1HCRTR1
SCHEMBL3360974 0.71 MAPT (0.42) ALDH1A1KDM4EPOLBMEN1LMNA
SCHEMBL11590632 0.70 MAPT (0.41) ALDH1A1KDM4EPOLBGAAMEN1
Water SCHEMBL1146714 0.70 MAPT (0.50) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL50667 0.70 MAPT (0.56) ALDH1A1KDM4EPOLBGAAMEN1
Iodide SCHEMBL1146708 0.68 MAPT (0.48) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL152085 0.68 MAPT (0.37) ALDH1A1KDM4EPOLBGAAMEN1

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-5220009-A Sewage wastes; irradiating with white light YEDA RESEARCH AND DEVELOPMENT COMPANY LIMITED (IL) 1993-06-15 US disclosed