SCHEMBL6779837

SCHEMBL6779837

COC(=O)COc1ccc(/C=N\O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.61
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
GFER P55789 1/20 0.50
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.46
ALOX5 P09917 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL6779843 1.00 PTGS2 (0.61) PTGS2RAB9ANPC1KMT2AMEN1
SCHEMBL12626708 1.00 PTGS2 (0.61) PTGS2RAB9ANPC1KMT2AMEN1
SCHEMBL2116437 0.82 PTGS2 (0.66) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL2851063 0.81 KMT2A (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2851060 0.81 KMT2A (0.57) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL1950164 0.81 PTGS2 (0.67) PTGS2KMT2AMAPTALDH1A1KDM4E
SCHEMBL6774718 0.80 PTGS2 (0.65) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL9216090 0.80 PTGS2 (0.65) PTGS2KMT2AMEN1MAPTALDH1A1
SCHEMBL13108881 0.78 NPC1 (0.51) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL3453341 0.78 NPC1 (0.51) RAB9ANPC1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1208089-B1 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2004-10-13 EP disclosed
US-6673786-B1 TREATING ALLERGIC OR INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-01-06 US disclosed
EP-1208089-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2002-05-29 EP disclosed
WO-2001010848-A2 DIAZOCIN-DIONE DERIVATIVES AND THEIR USE S TRYPTASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2001-02-15 WO disclosed