SCHEMBL4200438

SCHEMBL4200438

NCCCc1nc(Cl)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.39
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL2328271 0.91 HRH1 (0.38) ALDH1A1ALOX15TSHRCASP1HRH3
SCHEMBL1562318 0.91 HRH1 (0.38) ALDH1A1ALOX15TSHRCASP1HRH3
SCHEMBL19125179 0.84 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRCASP1
SCHEMBL10039907 0.84 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCASP1
SCHEMBL10909142 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15TSHRCASP1
SCHEMBL15719514 0.76 CASP1 (0.36) CASP1HRH4HRH3
SCHEMBL10911172 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRCASP1
SCHEMBL1318651 0.75 ALDH1A1 (0.40) ALDH1A1ALOX15TSHRCASP1
Ethylenediamine SCHEMBL10352314 0.74 ALDH1A1 (0.61) ALDH1A1ALOX15TSHR
SCHEMBL447214 0.73 KMT2A (0.42) ALDH1A1ALOX15TSHRCASP1

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-20130302873-A1 Methods of Making Material Coatings for Self-cleaning and Self-decontamination of Metal Surfaces U.S.A. AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2013-11-14 US disclosed
EP-2083955-A2 MATERIALS COATINGS AND METHODS FOR SELF-CLEANING AND SELF-DECONTAMINATION OF METAL SURFACES The Government of the United States of America as represented by the Secretary of the Navy (US) 2009-08-05 EP disclosed
US-20090010980-A1 Materials coatings and methods for self-cleaning and self-decontamination of metal surface NAVY, SECRETARY OF THE, THE U.S.A AS REPRESENTED BY THE 2009-01-08 US disclosed
WO-2008127289-A2 MATERIALS COATINGS AND METHODS FOR SELF-CLEANING AND SELF-DECONTAMINATION OF METAL SURFACES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2008-10-23 WO disclosed