SCHEMBL7473629

SCHEMBL7473629

COc1cc2cnc(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)cc2c(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
ABCB1 P08183 2/20 0.32
CFD P00746 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
F11 P03951 3/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ENPP1 P22413 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
SCHEMBL8831163 0.96 P4HB (0.34) P4HBHSP90AA1RAB9APOLBABCB1
SCHEMBL7458517 0.96 P4HB (0.34) P4HBHSP90AA1RAB9APOLBABCB1
SCHEMBL7461868 0.92 ABCB1 (0.32) RAB9AABCB1F11KDM4ENPC1
SCHEMBL8831168 0.91 RAB9A (0.33) P4HBHSP90AA1RAB9APOLBABCB1
SCHEMBL7476015 0.91 P4HB (0.34) P4HBHSP90AA1RAB9APOLBABCB1
SCHEMBL7473667 0.89 PYGL (0.33) ABCB1F11ENPP1
SCHEMBL7460763 0.89 KDM4E (0.37) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL7463553 0.88 KDM4E (0.36) RAB9AMEN1KMT2AKDM4ENPC1
SCHEMBL7467746 0.88 P4HB (0.33) P4HBHSP90AA1
SCHEMBL7469597 0.87 PYGL (0.32) RAB9AF11NPC1

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