SCHEMBL7375959

SCHEMBL7375959

CC(C)(C)OC(=O)CN(C(=O)c1ccc2c(N(Cl)C(=N)N)cncc2c1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.37
PLAU P00749 1/20 0.35
GSTO1 P78417 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
F10 P00742 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HTT P42858 1/20 0.32
GPBAR1 Q8TDU6 2/20 0.32
ACACB O00763 1/20 0.31
MEN1 O00255 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
Trifluoroacetic Acid SCHEMBL7444932 0.84 F2 (0.41) F2PLAUF10GPBAR1
SCHEMBL7048342 0.81 PLAU (0.41) PLAUGSTO1SMN1; SMN2ALDH1A1
SCHEMBL6437619 0.80 PTPRC (0.42) F2KMT2AF10MEN1
SCHEMBL6434089 0.80 NR1D1 (0.36) GSTO1
SCHEMBL6433230 0.78 ROCK2 (0.41) F2F10ITGB3ITGA2B
SCHEMBL6433843 0.78 DGAT2 (0.41) KMT2ASMN1; SMN2F10
SCHEMBL7371013 0.77 AGTR1 (0.32) F2KMT2AF10MEN1
SCHEMBL6434466 0.77 NR1D1 (0.35) PLAU
SCHEMBL7049621 0.77 PLAU (0.42) PLAUKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL7378316 0.76 GRM2 (0.30)

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
EP-1077945-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2001-02-28 EP disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed