SCHEMBL3793007

SCHEMBL3793007

Nc1nc2c(c(=O)[nH]1)NCN2CCCCl

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 9/20 0.58
NOS1 P29475 4/20 0.35
CYP1A2 P05177 1/20 0.34
PNP P00491 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TK1 P04183 1/20 0.33

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
SCHEMBL3836268 0.86 HPRT1 (0.61) HPRT1NOS1CYP1A2PNPNOS3
SCHEMBL571646 0.85 HPRT1 (0.60) HPRT1NOS1CYP1A2PNPTK1
SCHEMBL489058 0.84 HPRT1 (0.56) HPRT1NOS1PNPNOS3NOS2
SCHEMBL9662657 0.84 HPRT1 (0.56) HPRT1NOS1CYP1A2NOS3NOS2
SCHEMBL9364441 0.83 HPRT1 (0.60) HPRT1NOS1PNPNOS3NOS2
SCHEMBL6061495 0.82 HPRT1 (0.58) HPRT1NOS1CYP1A2PNPTK1
SCHEMBL21637016 0.81 HPRT1 (0.57) HPRT1NOS1CYP1A2PNPNOS3
SCHEMBL9663134 0.80 HPRT1 (0.55) HPRT1NOS1TK1
SCHEMBL9515983 0.80 HPRT1 (0.72) HPRT1PNP
SCHEMBL3743947 0.80 HPRT1 (0.56) HPRT1NOS1NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557182-B2 Site selectively tagged and templated molecularly imprinted polymers for sensor applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-10-15 US disclosed
US-8377717-B2 Site selectively tagged and templated molecularly imprinted polymers for sensor applications THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2013-02-19 US disclosed
US-20100233828-A1 Site Selectively Tagged and Templated Molecularly Imprinted Polymers for Sensor Applications RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK, THE (US) 2010-09-16 US disclosed
CN-101415487-A Site-selective marker and template molecularly imprinted polymers in sensor applications UNIV NEW YORK (US) 2009-04-22 CN disclosed
EP-1699832-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-13 EP disclosed
US-20050227258-A1 Site selectively tagged and templated molecularly imprinted polymers for sensor applications NATIONAL SCIENCE FOUNDATION 2005-10-13 US disclosed
WO-2005056613-A2 SITE SELECTIVELY TAGGED AND TEMPLATED MOLECULARLY IMPRINTED POLYMERS FOR SENSOR APPLICATIONS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-06-23 WO disclosed