SCHEMBL10875643

SCHEMBL10875643

O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.54
KMT2A Q03164 5/20 0.51
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
MAPK1 P28482 3/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
XBP1 P17861 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 6/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
RAF1 P04049 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
AGTR1 P30556 1/20 0.43

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
SCHEMBL9348115 0.83 KMO (0.44) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL10876400 0.79 PLOD2 (0.39) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL10876913 0.79 GSK3B (0.51) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL10916044 0.77 VCAM1 (0.64) VCAM1KMT2AMAPTMEN1MAPK1
SCHEMBL28386123 0.77 VCAM1 (0.68) VCAM1KMT2AMAPTMEN1MAPK1
SCHEMBL240083 0.76 VCAM1 (0.72) VCAM1KMT2AMAPTMEN1MAPK1
SCHEMBL1999729 0.76 PLOD2 (0.56) KMT2AMAPTMEN1MAPK1LMNA
SCHEMBL6344726 0.75 ERCC5 (0.50) KMT2AMAPTMEN1LMNAPOLB
SCHEMBL6740307 0.75 VCAM1 (0.70) VCAM1KMT2AMAPTMEN1MAPK1
SCHEMBL4175676 0.75 VCAM1 (0.70) VCAM1KMT2AMAPTMEN1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202903-A2 Control of ectoparasites ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed