SCHEMBL4051780

SCHEMBL4051780

O=[C]c1ccc2ccccc2c1N(C=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.31
MAOB P27338 1/20 0.31
CFTR P13569 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 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
SCHEMBL692062 0.76 ALOX5 (0.36) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL8352651 0.71 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7404742 0.69 NOX1 (0.36) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6936315 0.69 TSHR (0.41) MAPTL3MBTL1HPGDCYP1A2CYP2D6
SCHEMBL2729182 0.67 TDP1 (0.47) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL692064 0.65 MAOA (0.39) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL7304372 0.64 CYP1A2 (0.44) MAPTLMNAHPGDCYP1A2CYP2D6
SCHEMBL4051783 0.64 PLAU (0.49) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL10750641 0.63 TSHR (0.35) NPC1RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL5614230 0.63 TSHR (0.36) MAPTL3MBTL1HPGDCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732891-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
WO-2005087728-A9 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2007-04-26 WO disclosed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1732891-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087728-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 WO disclosed
EP-0983267-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039329-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed