SCHEMBL7358330

SCHEMBL7358330

N#CC=Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.49
▸ CHAT P28329 5/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL22029544 1.00 RXRA (0.49) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706694 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10383610 0.80 KDM4E (0.40) HDAC8HDAC6ALDH1A1KDM4ETDP1
SCHEMBL10706700 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10706687 0.80 CHAT (0.62) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL143958 0.80 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL3721694 0.80 RXRA (0.53) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL3251573 0.79 RXRA (0.43) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437274 0.78 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437275 0.78 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901453-B1 METHOD FOR ORGANIC REACTIONS LABWELL AB (SE) 2000-11-15 — — EP disclosed
US-6136157-A Method for organic reactions LABWELL AB (SE) 2000-10-24 — — US disclosed
EP-0901453-A1 METHOD FOR ORGANIC REACTIONS Labwell AB (SE) 1999-03-17 — — EP disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 — — EP disclosed
WO-1997043230-A1 METHOD FOR ORGANIC REACTIONS LABWELL AB (SE) 1997-11-20 — — WO disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 — — WO disclosed
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