SCHEMBL6596119

SCHEMBL6596119

O=CC(c1cccs1)[n+]1ccc(SCc2cc(-c3ccc[n+](CC(=O)c4cccs4)c3)[nH]n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Bromide SCHEMBL5354634 0.99
Bromide SCHEMBL5437693 0.99
Bromide SCHEMBL6826247 0.86 MAPT (0.35) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL6598001 0.74 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6596513 0.72 RAB9A (0.43) ALDH1A1LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL3686641 0.71 ALDH1A1 (0.38) ALDH1A1LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6611866 0.70 POLB (0.38) ALDH1A1LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL6609904 0.66 POLB (0.34) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL6599925 0.65 KMT2A (0.42) ALDH1A1LMNAMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL1194570 0.64 KMT2A (0.41) ALDH1A1LMNAMAPTHPGDKMT2A

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