SCHEMBL6598288

SCHEMBL6598288

O=C(C[n+]1cccc(-c2cc(COc3ccccc3)n[nH]2)c1)c1ccc(Cl)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 6/20 0.35
HPGD P15428 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 7/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 4/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GSK3B P49841 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 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
Bromide SCHEMBL1194181 0.99 ALDH1A1 (0.36) ALDH1A1L3MBTL1THRBKMT2AHPGD
Bromide SCHEMBL6599927 0.87 LMNA (0.34) ALDH1A1KMT2AMEN1MAPTPOLB
Hydrochloric Acid SCHEMBL3686641 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL6596187 0.80 KMT2A (0.35) ALDH1A1L3MBTL1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL1193915 0.79 KMT2A (0.35) ALDH1A1L3MBTL1KMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL6621921 0.77 CPT2 (0.33) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL6598655 0.77 MEN1 (0.38) ALDH1A1KMT2AHPGDMEN1POLB
Hydrochloric Acid SCHEMBL5358894 0.76 MEN1 (0.38) ALDH1A1KMT2AHPGDMEN1POLB
SCHEMBL6595709 0.75 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2AHPGDMEN1
SCHEMBL6596042 0.74 KMT2A (0.48) ALDH1A1L3MBTL1KMT2AMEN1MAPT

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