SCHEMBL6205366

SCHEMBL6205366

COc1cccc(CC([O])OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 3/20 0.43
ABCB1 P08183 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL6206375 0.84 IDO1 (0.48) CA12CA1CA2CA14KMT2A
SCHEMBL5018903 0.80 GABRA1 (0.48) CA12CA1CA2CA14ALDH1A1
SCHEMBL6205368 0.79 ALDH1A1 (0.45) CA12CA1CA2CA14KMT2A
SCHEMBL490857 0.78 ALDH1A1 (0.53) CA12CA1CA2CA14KMT2A
SCHEMBL464374 0.77 CA12 (0.54) CA12CA1CA2CA14KMT2A
SCHEMBL23967531 0.77 MEN1 (0.44) CA12CA1CA2CA14KMT2A
SCHEMBL729393 0.77 KMT2A (0.55) KMT2AHTR2A
SCHEMBL27679217 0.77 ALDH1A1 (0.46) CA12CA1CA2CA14KMT2A
SCHEMBL21164700 0.77 ALDH1A1 (0.46) CA12CA1CA2CA14ALDH1A1
SCHEMBL28554357 0.77 ALDH1A1 (0.49) CA12CA1CA2CA14KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed