SCHEMBL9820303

SCHEMBL9820303

NC1CCN(c2c(C(=O)O)c(=O)c3cc(F)cnc3n2-c2ccc(F)cc2F)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
GSK3B P49841 3/20 0.44
PIM1 P11309 2/20 0.44
GSK3A P49840 2/20 0.44
PIM3 Q86V86 2/20 0.44
PRKD3 O94806 1/20 0.44
IRAK1 P51617 1/20 0.44
RPS6KA3 P51812 1/20 0.44
DYRK1A Q13627 1/20 0.44
CSNK1G3 Q9Y6M4 1/20 0.44
EPHA2 P29317 1/20 0.43
FLT4 P35916 1/20 0.43
RARB P10826 1/20 0.43
TBXAS1 P24557 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CSNK1G1 Q9HCP0 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
Hydrochloric Acid SCHEMBL10756921 0.99 KMT2A (0.55) KMT2AGSK3BPIM1GSK3APIM3
SCHEMBL31318272 0.87 GSK3B (0.54) KMT2AGSK3BPIM1GSK3APIM3
SCHEMBL10702920 0.80 PIM3 (0.42) KMT2AGSK3BPIM1GSK3APIM3
SCHEMBL8983630 0.76 KMT2A (0.36) KMT2A
Hydrochloric Acid SCHEMBL9044154 0.72 KMT2A (0.33) KMT2AGSK3BEPHA2FLT4RARB
Tosufloxacin SCHEMBL34354 0.72 KMT2A (1.00) KMT2AGSK3BEPHA2FLT4RARB
Tosufloxacin SCHEMBL29383684 0.72 KMT2A (1.00) KMT2AGSK3BEPHA2FLT4RARB
Tosufloxacin SCHEMBL34355 0.72 KMT2A (1.00) KMT2AGSK3BEPHA2FLT4RARB
Tosufloxacin SCHEMBL9323984 0.72 KMT2A (1.00) KMT2AGSK3BEPHA2FLT4RARB
SCHEMBL8390726 0.71 GLA (0.34) KMT2AGSK3BEPHA2FLT4RARB

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-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 US disclosed
US-4956475-A REDUCTIVE ACETYLATION OF THE 3-AZIDO DERIVATIVE USING THIOACETIC ACID TO OBTAIN THE CORRESPONDING ACETAMIDE ABBOTT LABORATORIES (US) 1990-09-11 US disclosed