SCHEMBL21708560

SCHEMBL21708560

CCCCC(=O)Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SLC22A2 O15244 1/20 0.41
TMPRSS2 O15393 1/20 0.41

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
SCHEMBL27985790 0.90 BCL9 (0.55) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL28714786 0.90 KMT2A (0.51) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL5822065 0.86 KMT2A (0.61) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL5701834 0.85 BCL9 (0.50) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL1999397 0.84 KIF11 (0.49) KMT2ASMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL9195803 0.83 HDAC3 (0.44) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL9195807 0.83 HDAC3 (0.44) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL27946993 0.83 KMT2A (0.58) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL9195858 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2POLBKMT2A
SCHEMBL9195849 0.82 HDAC3 (0.43) HDAC3HDAC1HDAC2POLBKMT2A

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-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed