SCHEMBL5517536

SCHEMBL5517536

CN(C)c1ccc(/C=C/c2ccc(Cl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.65
APP P05067 6/20 0.63
MAPT P10636 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CASP1 P29466 2/20 0.61
HBB P68871 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ALOX15 P16050 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
BRCA1 P38398 1/20 0.57
CASP7 P55210 1/20 0.57
PTGS1 P23219 1/20 0.57
LMNA P02545 1/20 0.57
ALPG P10696 1/20 0.57
THRB P10828 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL9822810 1.00 RELA (0.65) RELAAPPMAPTMEN1KMT2A
SCHEMBL13467434 0.88 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL1714449 0.88 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL7915381 0.88 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL1714446 0.88 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL3025040 0.88 RELA (0.81) RELAAPPMAPTMEN1KMT2A
SCHEMBL29389358 0.85 RELA (0.77) RELAAPPMAPTMEN1KMT2A
SCHEMBL31116653 0.85 ALDH1A1 (0.69) APPMAPTMEN1KMT2AHBB
SCHEMBL59751 0.85 ALDH1A1 (0.69) APPMAPTMEN1KMT2AHBB
SCHEMBL10227089 0.83 HSD17B3 (0.83) APPMAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262252-B2 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD. (JP) 2007-08-28 US disclosed
US-20060189788-A1 Cyclic ether copolymer, coating resin composition, optical devices, and process for production of the devices DAIKIN INDUSTRIES, LTD. (JP) 2006-08-24 US disclosed
US-20050004253-A1 Nonlinear optical materials comprising fluorine-containing polymer DAIKIN INDUSTRIES, LTD 2005-01-06 US disclosed
EP-1406116-A1 NONLINEAR OPTICAL MATERIAL CONTAINING FLUOROPOLYMER Daikin Industries, Ltd. (JP) 2004-04-07 EP disclosed