SCHEMBL5335314

SCHEMBL5335314

CCCCC(CC)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP3A4 P08684 4/20 0.35
TSHR P16473 3/20 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
SCHEMBL13578757 0.92 ALDH1A1 (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL14341825 0.86 CA9 (0.38) KMT2ACA2CA1CA7CA9
SCHEMBL16265459 0.85 ALDH1A1 (0.42) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL19421857 0.82 ALDH1A1 (0.41) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL17622373 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL13578742 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL16356252 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL12075727 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL13578740 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL13578747 0.79 ALDH1A1 (0.38) ALDH1A1KDM4ETHRBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307041-B2 Stabilizers for use in substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2007-12-11 US disclosed
EP-1637338-B1 Substantially light-insensitive thermographic recording material AGFA GEVAERT (BE) 2007-04-04 EP disclosed
US-20060063670-A1 Stabilizers for use in substantially light-insensitive thermographic recording materials AGFA-GEVAERT (BE) 2006-03-23 US disclosed