SCHEMBL20830399

SCHEMBL20830399

Cc1ccc(CN2C(=O)c3ccnc4c(O)ccc(c34)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
COMT P21964 1/20 0.43
CYP1B1 Q16678 2/20 0.43
CLTC Q00610 1/20 0.41
ENPP2 Q13822 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
SCHEMBL20830735 0.88 MEN1 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL16964861 0.87 CA1 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL20814679 0.87 CYP1A2 (0.52) CA12CA1CA2CA9MEN1
SCHEMBL20830748 0.87 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL20830398 0.87 MEN1 (0.46) CA12CA1CA2CA9MEN1
SCHEMBL16965549 0.87 KMT2A (0.61) CA12CA1CA2CA9MEN1
SCHEMBL16965144 0.86 KDM4E (0.55) CA12CA1CA2CA9MEN1
SCHEMBL16965659 0.86 CLTC (0.43) CA12CA1CA2CA9MEN1
SCHEMBL20830510 0.84 APAF1 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL20830397 0.81 KMT2A (0.58) MEN1RGS12USP2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900239-B1 DIHYDRO-6-AZAPHENALENE DERIVATIVES FOR THE TREATMENT OF CNS, OCULAR DISEASES AND RELATED DISORDERS WARNER BABCOCK INST FOR GREEN CHEMISTRY LLC (US) 2019-03-20 EP disclosed