SCHEMBL6780301

SCHEMBL6780301

O=S(=O)(Nc1cccc(C2=NCCc3ccccc32)c1)c1ccc(-c2ccon2)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 9/20 0.55
PFKFB4 Q16877 5/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
F10 P00742 2/20 0.40
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL6724818 0.90 KMT2A (0.52) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL7067510 0.90 PFKFB3 (0.52) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6718575 0.90 PFKFB3 (0.52) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6714757 0.90 PFKFB3 (0.52) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6714952 0.88 PFKFB3 (0.51) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6718211 0.83 NPC1 (0.47) PFKFB3PFKFB4MEN1KMT2ALMNA
SCHEMBL6716609 0.80 MEN1 (0.49) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6724890 0.80 MEN1 (0.51) PFKFB3PFKFB4MEN1KMT2AMAPT
SCHEMBL6720396 0.79 KMT2A (0.51) PFKFB3MEN1KMT2AMAPTLMNA
SCHEMBL6717937 0.78 MEN1 (0.49) PFKFB3MEN1KMT2AMAPTF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed