SCHEMBL8556950

SCHEMBL8556950

Cc1cccc2c1Sc1ccc(Cl)cc1NC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 3/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
ROCK2 O75116 1/20 0.38
CHEK2 O96017 1/20 0.38
PIM1 P11309 1/20 0.38
CDK2 P24941 1/20 0.38
RECQL P46063 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKAA1 Q13131 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL8559836 0.89 MEN1 (0.36) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8558840 0.86 NOX1 (0.43) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8561569 0.81 MEN1 (0.47) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8562468 0.78 NOX1 (0.58) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8558177 0.69 NOX1 (0.58) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8559064 0.69 ALOX15 (0.41) NOX1BCHEACHEMEN1KMT2A
SCHEMBL8562293 0.67 GAA (0.40) MEN1KMT2AGAAMAPTNPC1
SCHEMBL30935803 0.64 BRPF1 (0.44) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL7858934 0.63 ALOX15 (0.63) NOX1BCHEACHEGAAGSK3B
SCHEMBL13113542 0.62 MEN1 (0.66) ACHEMEN1KMT2AMAPTHPGD

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