SCHEMBL19862539

SCHEMBL19862539

C=C/C=C1/C(=O)N(OS(=O)(=O)CF)C(=O)c2cccc(C=C)c21

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 6/20 0.33
HPGD P15428 5/20 0.33
MAPT P10636 4/20 0.33
HTT P42858 1/20 0.32
VDR P11473 2/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 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
SCHEMBL19861187 0.84 VDR (0.35) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL22252618 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL23987264 0.66 DPP4 (0.36) KMT2AMEN1ALDH1A1
SCHEMBL20258458 0.64 DRD2 (0.33)
SCHEMBL19245114 0.63 GSK3B (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL22734366 0.63 MAPT (0.38) KMT2AALDH1A1KDM4EHPGDMAPT
SCHEMBL17620395 0.61 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL11496736 0.61 MAPT (0.47) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17613106 0.61 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7776318 0.60 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1KDM4EHPGD

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
US-20180046102-A1 LIQUID DEVELOPER CANON KABUSHIKI KAISHA (JP) 2018-02-15 US disclosed