SCHEMBL8559836

SCHEMBL8559836

Cc1cccc2c1Sc1cc(Cl)ccc1NC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NOX1 Q9Y5S8 4/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 3/20 0.30
GAA P10253 2/20 0.30
MAPK13 O15264 1/20 0.30
DAPK3 O43293 1/20 0.30
ROCK2 O75116 1/20 0.30
CHEK2 O96017 1/20 0.30
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
RECQL P46063 1/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CSNK2A1 P68400 1/20 0.30
PRKCZ Q05513 1/20 0.30

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
SCHEMBL8556950 0.89 NOX1 (0.41) MEN1KMT2ANOX1BCHEACHE
SCHEMBL8561569 0.81 MEN1 (0.47) MEN1KMT2ANOX1BCHEACHE
SCHEMBL8558840 0.74 NOX1 (0.43) MEN1KMT2ANOX1BCHEACHE
SCHEMBL8562293 0.69 GAA (0.40) MEN1KMT2AMAPTGAANPC1
SCHEMBL8559064 0.69 ALOX15 (0.41) MEN1KMT2ANOX1BCHEACHE
SCHEMBL8562468 0.66 NOX1 (0.58) MEN1KMT2ANOX1BCHEACHE
SCHEMBL8558177 0.66 NOX1 (0.58) MEN1KMT2ANOX1BCHEACHE
SCHEMBL30935794 0.64 BRPF1 (0.44) MEN1KMT2AL3MBTL1MAPTAVPR1A
SCHEMBL7341760 0.63 ALOX15 (0.63) HPGDL3MBTL1GAANPSR1
SCHEMBL7330828 0.63 CA12 (0.44) HPGDL3MBTL1GAAGSK3BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed