SCHEMBL7945833

SCHEMBL7945833

COc1ccc(Cn2c(=O)c([I+]c3ccccc3)c([O-])c3cccnc32)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 7/20 0.48
THRB P10828 2/20 0.44
RXFP1 Q9HBX9 4/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSF1R P07333 1/20 0.40

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
SCHEMBL5871439 0.91 LIPG (0.43) L3MBTL1MAPTTHRBRXFP1ALDH1A1
SCHEMBL5872204 0.87 MAPT (0.53) L3MBTL1MAPTTHRBRXFP1ALDH1A1
SCHEMBL5871960 0.85 CNR1 (0.45) MAPTTHRBRXFP1TP53
SCHEMBL5872307 0.79 CCNA2 (0.39) MAPTRXFP1ALDH1A1SMN1; SMN2TP53
SCHEMBL5872030 0.78 PDE4D (0.43) L3MBTL1MAPTALDH1A1SMN1; SMN2TP53
SCHEMBL7959767 0.77 KMT2A (0.41) ALDH1A1SMN1; SMN2LMNA
SCHEMBL7945856 0.77 HDAC1 (0.48) MAPTALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL5871920 0.76 FEN1 (0.45) ALDH1A1TSHRHTT
SCHEMBL5872145 0.71 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL5871709 0.70 FEN1 (0.50) L3MBTL1MAPTALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed