SCHEMBL1323801

SCHEMBL1323801

NCCCCCCNc1ccc(O)c2c1C(=O)c1c(O)ccc(Cl)c1C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
TP53 P04637 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
USP2 O75604 2/20 0.53
RECQL P46063 2/20 0.53
BLM P54132 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CSNK2A2 P19784 2/20 0.53
CSNK2B P67870 2/20 0.53
CSNK2A1 P68400 2/20 0.53
CSNK2A3 Q8NEV1 2/20 0.53
ALOX15 P16050 2/20 0.53
THPO P40225 2/20 0.53

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
SCHEMBL10620370 0.95 CYP19A1 (0.62) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL1323094 0.92 CYP19A1 (0.69) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL11279729 0.90 CYP19A1 (0.71) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL10624602 0.89 CYP19A1 (0.57) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL10524500 0.86 CYP19A1 (0.73) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL14228462 0.85 CYP19A1 (0.61) CYP19A1TP53MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL11150067 0.84 CYP19A1 (0.71) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL10619827 0.82 MEN1 (0.57) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL10622164 0.82 CYP19A1 (0.57) CYP19A1TP53MEN1KMT2ACYP3A4
SCHEMBL10523397 0.80 MEN1 (0.75) CYP19A1TP53MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058460-B2 Near infrared fluorophore for the selective labelling of membranes in cells Universität Heidelberg (DE) 2011-11-15 US disclosed
US-8058460-B2 Near infrared fluorophore for the selective labelling of membranes in cells Universität Heidelberg (DE) 2011-11-15 US disclosed
US-8058460-B2 Near infrared fluorophore for the selective labelling of membranes in cells Universität Heidelberg (DE) 2011-11-15 US disclosed
US-20090291467-A1 Near Infrared Fluorophore for the Selective Labelling of Membranes in Cells UNIVERSITAT HEIDELBERG (DE) 2009-11-26 US disclosed
US-20090291467-A1 Near Infrared Fluorophore for the Selective Labelling of Membranes in Cells UNIVERSITAT HEIDELBERG (DE) 2009-11-26 US disclosed
US-20090291467-A1 Near Infrared Fluorophore for the Selective Labelling of Membranes in Cells UNIVERSITAT HEIDELBERG (DE) 2009-11-26 US disclosed
EP-2046894-A2 NEAR INFRARED FLUOROPHORE FOR THE SELECTIVE LABELLING OF MEMBRANES IN CELLS Universität Heidelberg (DE) 2009-04-15 EP disclosed
WO-2008037394-A2 NEAR INFRARED FLUOROPHORE FOR THE SELECTIVE LABELLING OF MEMBRANES IN CELLS Universität Heidelberg (DE) 2008-04-03 WO disclosed
EP-1905801-A1 Near infrared fluorophore for the selective labelling of membranes in cells Universität Heidelberg (DE) 2008-04-02 EP disclosed
EP-1905801-A1 Near infrared fluorophore for the selective labelling of membranes in cells Universität Heidelberg (DE) 2008-04-02 EP disclosed