SCHEMBL9699601

SCHEMBL9699601

O=C(O)C1C(=O)c2cc(F)c(-n3ccnc3)c(F)c2N(C2CC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 2/20 0.34
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
P4HTM Q9NXG6 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
STING1 Q86WV6 1/20 0.31

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
SCHEMBL3816673 0.73 KCNH2 (0.34)
SCHEMBL9700512 0.68 TOP2A (0.64) TOP2ATOP2B
SCHEMBL4365445 0.68 KEAP1 (0.35) TOP2ATOP2B
SCHEMBL10591227 0.67 TOP2A (0.43) ADH5HTR2AHTR2CHTR2BCD274
SCHEMBL10876273 0.66 TOP2A (0.48) TOP2ATOP2B
SCHEMBL10875166 0.65 ALDH1A1 (0.62) TOP2ATOP2B
SCHEMBL9699603 0.64 ADH5 (0.34) ADH5
SCHEMBL9840423 0.63 MEN1 (0.35) TOP2ATOP2B
SCHEMBL10875170 0.63 ALDH1A1 (0.48) TOP2ATOP2B
SCHEMBL10679827 0.61 MEN1 (0.61) TOP2ATOP2B

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
US-5098913-A Bactericides for grampositive bacteria LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-03-24 US disclosed