SCHEMBL7467746

SCHEMBL7467746

COc1cc2cnc(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)O)c43)cc2c(OC)c1OC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL7464585 0.88 P4HB (0.31) P4HBHSP90AA1
SCHEMBL7473629 0.88 P4HB (0.34) P4HBHSP90AA1
SCHEMBL7474788 0.83 P4HB (0.34) P4HBHSP90AA1
SCHEMBL7458517 0.83 P4HB (0.34) P4HBHSP90AA1
SCHEMBL8831163 0.83 P4HB (0.34) P4HBHSP90AA1
SCHEMBL7465743 0.80 GABRA1 (0.41)
SCHEMBL7467832 0.79 P4HB (0.47) P4HBHSP90AA1
SCHEMBL7469050 0.78 POLB (0.43) P4HBHSP90AA1
SCHEMBL7461868 0.78 ABCB1 (0.32)
SCHEMBL8831168 0.77 RAB9A (0.33) P4HBHSP90AA1

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
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed