SCHEMBL7467645

SCHEMBL7467645

COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)C(CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ABCB1 P08183 4/20 0.34
PYGL P06737 4/20 0.34
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
LEF1 Q9UJU2 1/20 0.32
SMO Q99835 1/20 0.31
MAPT P10636 3/20 0.31
PLD2 O14939 1/20 0.31
PLD1 Q13393 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
SCHEMBL7461505 0.94 P4HB (0.41) P4HBHSP90AA1ABCB1PYGLKDM4E
SCHEMBL7462825 0.94 KMT2A (0.41) P4HBHSP90AA1ABCB1PYGLKDM4E
SCHEMBL7467832 0.91 P4HB (0.47) P4HBHSP90AA1KDM4ERAB9AALDH1A1
SCHEMBL8831163 0.90 P4HB (0.34) P4HBHSP90AA1ABCB1KDM4ENPC1
SCHEMBL7458517 0.90 P4HB (0.34) P4HBHSP90AA1ABCB1KDM4ENPC1
SCHEMBL7468222 0.90 NPC1 (0.37) ABCB1PYGLKDM4ENPC1RAB9A
SCHEMBL7470059 0.89 P4HB (0.37) P4HBHSP90AA1ABCB1
SCHEMBL8831002 0.89 ABCB1 (0.33) P4HBHSP90AA1ABCB1KDM4ENPC1
SCHEMBL7462648 0.88 KMT2A (0.41) P4HBHSP90AA1ABCB1PYGLKDM4E
SCHEMBL7473569 0.86 P4HB (0.34) P4HBHSP90AA1ABCB1KDM4EPOLB

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