SCHEMBL5528095

SCHEMBL5528095

Cc1cc(N)cc(N)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.44
CD44 P16070 1/20 0.44
ALDH1A1 P00352 7/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 8/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
CHRM1 P11229 1/20 0.40
ALOX15 P16050 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
TP53 P04637 2/20 0.39
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 1/20 0.36
TDP1 Q9NUW8 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL2102298 0.86 CYP3A4 (0.52) CASP1CD44ALDH1A1TSHRCYP3A4
SCHEMBL4465110 0.80 CYP3A4 (0.50) CASP1CD44ALDH1A1TSHRCYP3A4
SCHEMBL2670000 0.79 CYP3A4 (0.52) CD44ALDH1A1TSHRCYP3A4GAA
SCHEMBL24622828 0.79 CYP3A4 (0.52) CD44ALDH1A1TSHRCYP3A4GAA
SCHEMBL22922896 0.79 ALDH1A1 (0.52) CD44ALDH1A1TSHRCYP3A4GAA
SCHEMBL4079177 0.75 CD44 (0.41) CASP1CD44ALDH1A1TSHRCYP3A4
SCHEMBL23205851 0.75 CYP3A4 (0.38) CASP1CD44ALDH1A1TSHRCYP3A4
SCHEMBL3789961 0.75 CYP3A4 (0.68) CD44ALDH1A1TSHRCYP3A4GAA
SCHEMBL23205852 0.75 CD44 (0.41) CASP1CD44ALDH1A1TSHRCYP3A4
SCHEMBL26694609 0.75 GAA (0.46) CASP1CD44ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4870049-A TRANSFER SHEET FOR THERMAL PRINTING SHARP KABUSHIKI KAISHA (JP) 1989-09-26 US claimed
EP-1263324-B1 RADIOGRAPHIC ASSESSMENT OF TISSUE RESPONSE TO COMPOUNDS VERITAS PHARMACEUTICALS (US) 2009-12-02 EP disclosed
US-7279543-B2 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2007-10-09 US disclosed
US-20040077819-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-04-22 US disclosed
EP-1396514-A1 Anti-bacterial polymer and method for the preparation thereof, anti-bacterial polymer film and method for the preparation thereof, and article having such a film on the surface thereof ULVAC, INC. (JP) 2004-03-10 EP disclosed
US-4870049-A TRANSFER SHEET FOR THERMAL PRINTING SHARP KABUSHIKI KAISHA (JP) 1989-09-26 US disclosed