SCHEMBL6596187

SCHEMBL6596187

Cc1ccc(C(=O)C[n+]2cccc(-c3cc(CCCOc4ccccc4)n[nH]3)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
PABPC1 P11940 1/20 0.33
ATM Q13315 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
NPC1 O15118 2/20 0.32
GLA P06280 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.31
MCL1 Q07820 3/20 0.31
GAA P10253 2/20 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 SCHEMBL1193915 0.99 KMT2A (0.35) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL6598073 0.87 ALDH1A1 (0.38) KMT2AMEN1LMNAMAPTALDH1A1
Hydrochloric Acid SCHEMBL1194173 0.86 ALDH1A1 (0.37) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL6595709 0.84 ALDH1A1 (0.38) KMT2AMEN1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL1194041 0.83 ALDH1A1 (0.38) KMT2AMEN1LMNAMAPTHTT
SCHEMBL6598288 0.80 ALDH1A1 (0.37) KMT2AMEN1LMNAMAPTMAPK1
Bromide SCHEMBL1194181 0.79 ALDH1A1 (0.36) KMT2AMEN1LMNAMAPTMAPK1
Hydrochloric Acid SCHEMBL6599921 0.79 LMNA (0.34) KMT2AMEN1LMNAMAPK1ALDH1A1
SCHEMBL6599195 0.77 ACHE (0.32) LMNAALDH1A1KDM4E
SCHEMBL6596219 0.77 MAPT (0.35) KMT2AMEN1LMNAMAPTHTT

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-1373263-B1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS TORRENT PHARMACEUTICALS LTD (IN) 2004-10-27 EP claimed