SCHEMBL12723710

SCHEMBL12723710

CC(=O)Oc1ccc(/C=C/c2nc3ccccc3c(=O)o2)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.72
▸ RAB9A P51151 7/20 0.72
▸ KMT2A Q03164 8/20 0.67
▸ MEN1 O00255 7/20 0.67
▸ HSP90AA1 P07900 1/20 0.67
▸ ELANE P08246 1/20 0.58
▸ ALDH1A1 P00352 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ ATM Q13315 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL12723510 0.89 NPC1 (0.72) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1590366 0.88 NPC1 (0.71) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1589946 0.88 NPC1 (0.71) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1589944 0.88 NPC1 (0.71) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1590369 0.88 NPC1 (0.71) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL12723511 0.88 NPC1 (0.74) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL134146 0.82 NPC1 (0.67) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1589854 0.81 NPC1 (0.72) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL13556324 0.81 ELANE (0.65) NPC1RAB9AKMT2AMEN1HSP90AA1
SCHEMBL1589852 0.81 NPC1 (0.72) NPC1RAB9AKMT2AMEN1HSP90AA1

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
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 — — WO disclosed
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