SCHEMBL9818545

SCHEMBL9818545

Clc1ncnc(OC2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.39
KMO O15229 3/20 0.36
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
S1PR1 P21453 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.33
LRRK2 Q5S007 1/20 0.33
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK7 P50613 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL19598395 0.79 PDGFRB (0.36) PDGFRBPDGFRALRRK2LOXLOXL2
SCHEMBL11389109 0.79 PDGFRB (0.36) PDGFRBPDGFRALRRK2LOXLOXL2
SCHEMBL4784301 0.79 PDGFRB (0.36) PDGFRBPDGFRALRRK2LOXLOXL2
SCHEMBL10444786 0.79 JAK3 (0.39) JAK3PDGFRBPDGFRAS1PR1LRRK2
SCHEMBL9818488 0.71
SCHEMBL24441014 0.70 PDGFRB (0.40) KMOPDGFRBPDGFRAKMT2APDE4B
Cyclohexylamine SCHEMBL295002 0.69 KMT2A (0.38) KMT2AMEN1
SCHEMBL8568954 0.69
SCHEMBL22895345 0.69 LOX (0.47) KMOPDGFRBPDGFRAS1PR1LRRK2
SCHEMBL12949422 0.69 CDK4 (0.43) JAK3PDGFRBPDGFRALRRK2LOX

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
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
EP-0144776-A2 Fibre-reactive chromium complexes, their preparation and their use CIBA-GEIGY AG (CH) 1985-06-19 EP disclosed