SCHEMBL9367162

SCHEMBL9367162

Cn1c(=O)ccc2cccc(F)c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
BRPF1 P55201 2/20 0.50
BRD4 O60885 1/20 0.50
KAT2B Q92831 1/20 0.50
BRD9 Q9H8M2 1/20 0.50
DAO P14920 1/20 0.36
JAK2 O60674 1/20 0.35
BTK Q06187 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
RHEB Q15382 1/20 0.33
CYP19A1 P11511 1/20 0.33
NQO2 P16083 1/20 0.33
NCOA1 Q15788 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
SCHEMBL8559356 0.78 BRPF1 (0.52) CA12CA9BRPF1BRD4KAT2B
SCHEMBL1714249 0.77 CA12 (0.39) CA12CA9BRPF1BRD4KAT2B
SCHEMBL23346692 0.77 BRPF1 (0.50) CA12CA9BRPF1BRD4KAT2B
SCHEMBL3107572 0.77 MAPT (0.50) CA12CA9BRPF1BRD4KAT2B
SCHEMBL11286560 0.77 BRPF1 (0.50) CA12CA9BRPF1BRD4KAT2B
SCHEMBL11274030 0.77 BRPF1 (0.50) CA12CA9BRPF1BRD4KAT2B
SCHEMBL98218 0.76 CYP19A1 (0.54) CA12CA9BRPF1BRD4KAT2B
SCHEMBL30448891 0.76 BRPF1 (0.40) CA12CA9BRPF1BRD4KAT2B
SCHEMBL3099860 0.76 BRPF1 (0.40) CA12CA9BRPF1BRD4KAT2B
SCHEMBL3345804 0.76 BRPF1 (0.40) CA12CA9BRPF1BRD4KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54063087-A None JP disclosed
EP-0420511-B1 Heterocyclic derivatives ICI PLC (GB) 1994-08-17 EP disclosed
US-5302594-A Antiinflammatory agents; antiallergenic agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-04-12 US disclosed
US-5221677-A For treating diseases mediated by leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-22 US disclosed
EP-0420511-A2 Heterocyclic derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-03 EP disclosed
JP-S5463087-A 8-FLUORO-1-METHYLCARBOSTYRYL AND FUNGICIDE FOR RICE PLANT CONTAINING THE SAME SUMITOMO CHEM CO LTD 1979-05-21 JP disclosed