SCHEMBL7473569

SCHEMBL7473569

COc1cc2cc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)O)c65)cc4c3)oc2c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.34
HSP90AA1 P07900 1/20 0.34
ABCB1 P08183 2/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
F11 P03951 3/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6627433 0.92 MAPT (0.38) ABCB1KDM4EMAPT
SCHEMBL7461465 0.90 ABCB1 (0.33) P4HBHSP90AA1ABCB1
SCHEMBL7475427 0.88 KMT2A (0.33) ABCB1KDM4EMAPTF11
SCHEMBL7465517 0.88 KDM4E (0.36) KDM4EMAPT
SCHEMBL7464956 0.88 KDM4E (0.35) KDM4EMAPT
SCHEMBL7468851 0.88 MAPT (0.38) ABCB1KDM4EMAPT
SCHEMBL7473629 0.87 P4HB (0.34) P4HBHSP90AA1ABCB1KDM4EF11
SCHEMBL7474788 0.87 P4HB (0.34) P4HBHSP90AA1
SCHEMBL7467645 0.86 P4HB (0.41) P4HBHSP90AA1ABCB1KDM4EMAPT
SCHEMBL7462825 0.84 KMT2A (0.41) P4HBHSP90AA1ABCB1KDM4EMAPT

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