SCHEMBL7802013

SCHEMBL7802013

COc1ccc(C(N[C@@H](C)c2ccc(F)c(F)c2)c2cccc(Nc3c(O)c(=O)c3=O)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
MAPKAPK2 P49137 4/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ACP3 P15309 2/20 0.35
TP53 P04637 1/20 0.35
GSK3B P49841 1/20 0.35
CXCR2 P25025 3/20 0.35
TSHR P16473 1/20 0.34
GFER P55789 1/20 0.34
MAPK14 Q16539 1/20 0.34
PDPK1 O15530 1/20 0.33

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
SCHEMBL7780576 1.00 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7795354 1.00 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL7795396 0.99 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL7802211 0.99 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL7801297 0.99 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL7804109 0.92 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
Hydrochloric Acid SCHEMBL7801450 0.92 KMT2A (0.40) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7789345 0.91 ALDH1A1 (0.46) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7785296 0.91 ALDH1A1 (0.46) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7785252 0.91 MAPKAPK2 (0.40) MAPKAPK2GSK3BCXCR2MAPK14PDPK1

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-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed