SCHEMBL1917296

SCHEMBL1917296

O=C(COc1cccnc1)Oc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.50
NOTUM Q6P988 1/20 0.50
ALOX15 P16050 2/20 0.49
NAMPT P43490 1/20 0.48
CHRNB2 P17787 3/20 0.47
CHRNA4 P43681 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RAB9A P51151 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
SCHEMBL6941604 0.85 SMN1; SMN2 (0.57) CCNCCDK8MAPTKMT2ANOTUM
SCHEMBL3944400 0.85 KMT2A (0.55) CCNCCDK8MAPTKMT2ANOTUM
SCHEMBL16741218 0.82 CCNC (0.47) CCNCCDK8MAPTKMT2ANOTUM
SCHEMBL27660501 0.82 KMT2A (0.51) CCNCCDK8MAPTKMT2AALOX15
SCHEMBL2009003 0.82 ALOX15 (0.62) CCNCCDK8MAPTNOTUMALOX15
SCHEMBL16741071 0.82 CCNC (0.49) CCNCCDK8MAPTKMT2AALOX15
SCHEMBL6067800 0.82 TSHR (0.58) CCNCCDK8MAPTCHRNB2CHRNA4
SCHEMBL28060686 0.82 CCNC (0.46) CCNCCDK8MAPTKMT2ANOTUM
SCHEMBL3361224 0.81 NOTUM (0.49) CCNCCDK8MAPTNOTUMNAMPT
SCHEMBL2087239 0.81 MAPT (0.47) CCNCCDK8MAPTKMT2ANOTUM

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-2327766-B1 Nitrilases BASF ENZYMES LLC (US) 2015-12-02 EP disclosed
EP-2319919-B1 Nitrilases BASF ENZYMES LLC (US) 2015-08-12 EP disclosed
EP-2327767-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-29 EP disclosed
EP-2327765-B1 Nitrilases BASF ENZYMES LLC (US) 2015-04-01 EP disclosed
EP-2327765-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327767-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2327766-A1 Nitrilases Verenium Corporation (US) 2011-06-01 EP disclosed
EP-2039762-A2 Nitralases Verenium Corporation (US) 2009-03-25 EP disclosed