SCHEMBL3873648

SCHEMBL3873648

N=C(N)NC(=N)NOCCCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.51
F2 P00734 2/20 0.51
PLG P00747 1/20 0.51
PRSS2 P07478 1/20 0.51
C1S P09871 1/20 0.51
PRSS3 P35030 1/20 0.51
KCNA3 P22001 1/20 0.46
TMPRSS2 O15393 1/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
PARP10 Q53GL7 1/20 0.41
HTR1B P28222 1/20 0.41
PRMT1 Q99873 2/20 0.40
PLAU P00749 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
PRMT5 O14744 1/20 0.40

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
SCHEMBL3151068 0.81 TMPRSS2 (0.43) PRSS1F2PLGTMPRSS2DRD3
SCHEMBL8079534 0.80 L3MBTL1 (0.49) PRSS1F2PLGPRSS2C1S
Hydrochloric Acid SCHEMBL8187022 0.78 MTNR1A (0.51) PRSS1F2PLGPRSS2C1S
SCHEMBL8934273 0.73 NPC1 (0.50)
SCHEMBL10310294 0.71 MTNR1A (0.59) PRSS1F2PLGPRSS2C1S
SCHEMBL7418889 0.71 TMPRSS2 (0.47) PRSS1F2PLGPRSS2C1S
SCHEMBL8596426 0.71 MTNR1A (0.59) DRD3
SCHEMBL5331717 0.71 LMNA (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL16799118 0.71 MAPT (0.35) ALDH1A1
SCHEMBL1025 0.71 KCNA3 (0.88) KCNA3DRD2DRD4DRD3TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7575866-B2 Intracellular fusion protein comprising a target protein and a detector protein is bound to a membrane-permeable, fluorescently-labeled ligand of the detector protein, thereby providing an adjunct or alternative to Green Fluorescent Protein THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2009-08-18 US disclosed
EP-1601576-A4 LIGAND/BINDING PARTNER BIO-LABELING SYSTEMS UNIV COLUMBIA (US) 2007-12-05 EP disclosed
US-20060211007-A1 Ligand/binding partner bio-labeling systems THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2006-09-21 US disclosed
EP-1601576-A2 LIGAND/BINDING PARTNER BIO-LABELING SYSTEMS The Trustees of Columbia University in the City of New York (US) 2005-12-07 EP disclosed
WO-2004078594-A2 LIGAND/BINDING PARTNER BIO-LABELING SYSTEMS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2004-09-16 WO disclosed