SCHEMBL4200442

SCHEMBL4200442

CC(N)Cc1nc(Cl)nc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PNMT P11086 2/20 0.36
TAAR1 Q96RJ0 3/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HTR2A P28223 2/20 0.33
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
ESR1 P03372 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL28118989 0.86 SLC6A2 (0.34) SLC6A2SLC6A3PNMT
SCHEMBL1318068 0.80 ALDH1A1 (0.42) ALDH1A1ALOX15TSHRGAATDP1
Isopropylamine SCHEMBL11360242 0.76 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL7930806 0.75 ESR1 (0.39) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL17563556 0.74 ALDH1A1 (0.36) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL27248252 0.67 TAAR1 (0.44) ALDH1A1TAAR1MAOA
SCHEMBL28422033 0.67 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRGAATDP1
SCHEMBL17564557 0.67 LMNA (0.48) GAATDP1ESR1KMT2ANFKB1
SCHEMBL1317017 0.66 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1NFKB1
SCHEMBL17123447 0.64 ALDH1A1 (0.57) ALDH1A1ALOX15TSHRLMNA

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