SCHEMBL5309709

SCHEMBL5309709

Cc1c[nH]c(C(=O)C(Cl)(Cl)Cl)n1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HPGD P15428 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
SCHEMBL5151745 0.77 NPC1 (0.32)
SCHEMBL2854030 0.77 NOTUM (0.32)
Bromide SCHEMBL7429002 0.75 NPC1 (0.32)
Water SCHEMBL29953274 0.74 NOTUM (0.39) ALDH1A1
SCHEMBL19603001 0.72
SCHEMBL8080946 0.72 KMT2A (0.33) ALDH1A1HPGD
Zinc Ion SCHEMBL14482007 0.72
SCHEMBL20571366 0.71 CREBBP (0.39) ALDH1A1HPGD
SCHEMBL3754899 0.71
SCHEMBL8490277 0.68 S1PR2 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed