SCHEMBL6598073

SCHEMBL6598073

Cc1ccc(C(=O)C[n+]2cccc(-c3cc(CCc4ccccc4)n[nH]3)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 2/20 0.35
PABPC1 P11940 1/20 0.35
ATM Q13315 1/20 0.35
KDR P35968 3/20 0.33
PLK1 P53350 2/20 0.33
ACHE P22303 1/20 0.33
NPY5R Q15761 1/20 0.33
MAPT P10636 2/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
GLA P06280 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
Hydrochloric Acid SCHEMBL1194173 0.99 ALDH1A1 (0.37) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL6595709 0.91 ALDH1A1 (0.38) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1194041 0.91 ALDH1A1 (0.38) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL6596187 0.87 KMT2A (0.35) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1193915 0.86 KMT2A (0.35) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
SCHEMBL6599195 0.83 ACHE (0.32) ALDH1A1LMNAKDM4EACHE
Hydrochloric Acid SCHEMBL6599921 0.82 LMNA (0.34) ALDH1A1LMNAKDM4EL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL1194171 0.82 ACHE (0.32) ALDH1A1LMNAKDM4EACHE
SCHEMBL6596219 0.80 MAPT (0.35) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1193715 0.79 MAPT (0.34) ALDH1A1LMNARAB9ASMN1; SMN2KDM4E

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 4 patents. 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
WO-2002085897-A9 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS SANKARANARAYANAN ALANGUDI (IN) 2004-04-01 WO disclosed
EP-1373263-A1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS Torrent Pharmaceuticals Ltd (IN) 2004-01-02 EP disclosed
WO-2002085897-A1 HETEROCYCLIC COMPOUNDS FOR AGING-RELATED AND DIABETIC VASCULAR COMPLICATIONS SANKARANARAYANAN ALANGUDI (IN) 2002-10-31 WO disclosed