SCHEMBL19861187

SCHEMBL19861187

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 3/20 0.35
ALDH1A1 P00352 11/20 0.35
KDM4E B2RXH2 10/20 0.35
MAPT P10636 8/20 0.35
HPGD P15428 7/20 0.35
KMT2A Q03164 7/20 0.35
F2 P00734 4/20 0.33
MEN1 O00255 4/20 0.33
HTT P42858 3/20 0.33
XBP1 P17861 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.32
PKM P14618 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
SCHEMBL19862539 0.84 KMT2A (0.33) VDRALDH1A1KDM4EMAPTHPGD
SCHEMBL22252618 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL27387010 0.72 MEN1 (0.37) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL66141 0.71 KDM4E (0.61) VDRALDH1A1KDM4EMAPTHPGD
SCHEMBL23987264 0.71 DPP4 (0.36) ALDH1A1KMT2AMEN1
SCHEMBL2238574 0.68 ALDH1A1 (0.65) VDRALDH1A1KDM4EMAPTHPGD
SCHEMBL20258458 0.66 DRD2 (0.33)
SCHEMBL11025219 0.66 S100A4 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL22734366 0.65 MAPT (0.38) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL19245114 0.65 GSK3B (0.39) ALDH1A1KDM4EMAPTHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180059566-A1 UV-CURABLE LIQUID DEVELOPER, FIXING METHOD, IMAGE FORMING METHOD, AND UV-CURABLE COMPOSITION CANON KABUSHIKI KAISHA (JP) 2018-03-01 US disclosed
US-9891547-B2 Ultraviolet-curable liquid developer CANON KABUSHIKI KAISHA (JP) 2018-02-13 US disclosed