SCHEMBL9685958

SCHEMBL9685958

Nc1ccc(Cl)cc1C(=O)c1ccn[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
FADS1 O60427 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HCAR2 Q8TDS4 1/20 0.43
GCK P35557 2/20 0.43
PIM1 P11309 1/20 0.43
ALOX15 P16050 4/20 0.43
NOS2 P35228 1/20 0.42
CYP1A2 P05177 1/20 0.41
IDO1 P14902 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
CDK2 P24941 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 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
SCHEMBL9686296 0.80 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL9540049 0.78 RECQL (0.79) RECQLFADS1NPC1RAB9AGCK
SCHEMBL9519121 0.78 RECQL (0.51) RECQLFADS1NPC1RAB9AGCK
SCHEMBL9686196 0.75 MAPT (0.61) RECQLFADS1NPC1RAB9AALOX15
SCHEMBL9684971 0.75 IDO1 (0.57) RECQLFADS1NPC1RAB9AGCK
SCHEMBL343781 0.74 RECQL (0.58) RECQLFADS1NPC1RAB9AGCK
SCHEMBL28060 0.73 RECQL (0.57) RECQLFADS1NPC1RAB9AGCK
SCHEMBL31366630 0.73 RECQL (0.57) RECQLFADS1NPC1RAB9AGCK
SCHEMBL9684143 0.73 RECQL (0.53) RECQLFADS1NPC1RAB9AGCK
SCHEMBL27496110 0.72 HCAR2 (0.70) NPC1RAB9AHCAR2ALOX15CYP1A2

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-0491218-A1 Benzodiazepinones F. HOFFMANN-LA ROCHE AG (CH) 1992-06-24 EP disclosed