SCHEMBL7463543

SCHEMBL7463543

COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)C(CBr)CN3C(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 4/20 0.41
P4HB P07237 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL7469050 0.93 POLB (0.43) POLBRAB9AKMT2AMEN1P4HB
SCHEMBL7462648 0.91 KMT2A (0.41) POLBRAB9AKMT2AMEN1P4HB
SCHEMBL7470343 0.89 P4HB (0.47) POLBRAB9AP4HBHSP90AA1
SCHEMBL7462825 0.84 KMT2A (0.41) POLBRAB9AKMT2AMEN1P4HB
SCHEMBL7461505 0.83 P4HB (0.41) POLBRAB9AKMT2AMEN1P4HB
SCHEMBL7476015 0.83 P4HB (0.34) POLBRAB9AKMT2AMEN1P4HB
SCHEMBL7467832 0.82 P4HB (0.47) POLBRAB9AP4HBHSP90AA1
SCHEMBL7468129 0.78 NPC1 (0.37) RAB9A
SCHEMBL7469393 0.77 P4HB (0.41) POLBRAB9AP4HBHSP90AA1
SCHEMBL14665702 0.77 KMT2A (0.41) POLBRAB9AKMT2AMEN1P4HB

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