SCHEMBL694332

SCHEMBL694332

O=S(=O)(c1ccccc1)c1cc2c[c]ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
HTR6 P50406 2/20 0.41
AKR1B1 P15121 2/20 0.40
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
FEN1 P39748 1/20 0.33
BCAT1 P54687 1/20 0.33
KDM4E B2RXH2 2/20 0.33
FFAR2 O15552 1/20 0.33
GAA P10253 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL3237494 0.82 CA2 (0.62) CA2HTR6AKR1B1ALDH1A1HSD17B10
SCHEMBL31561597 0.82 CA2 (0.62) CA2HTR6AKR1B1ALDH1A1HSD17B10
SCHEMBL4695205 0.77 CA2 (0.40) CA2AKR1B1CNR1
SCHEMBL17803693 0.76 CA2 (0.42) CA2HTR6AKR1B1CNR1FEN1
SCHEMBL6618503 0.75 CA2 (0.46) CA2HTR6AKR1B1ALDH1A1CNR1
SCHEMBL8120975 0.75 KDM4E (0.49) CA2HTR6CNR1MEN1KMT2A
SCHEMBL7407839 0.75 CNR1 (0.54) CA2HTR6AKR1B1CNR1MEN1
SCHEMBL27867018 0.75 KDM4E (0.47) CA2HTR6AKR1B1ALDH1A1HSD17B10
SCHEMBL5190594 0.75 AKR1B1 (0.56) CA2HTR6AKR1B1ALDH1A1CNR1
SCHEMBL9561474 0.75 CYP19A1 (0.55) CA2HTR6AKR1B1ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO disclosed