SCHEMBL5451532

SCHEMBL5451532

O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccoc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5462247 0.81 PLK1 (0.67) PLK1NPC1RAB9AKMT2A
SCHEMBL5454023 0.73 EPHX1 (0.49) NPC1RAB9AKMT2A
SCHEMBL5453192 0.73 EPHX1 (0.65) NPC1RAB9AKMT2A
SCHEMBL11054164 0.72 GAA (0.50) PLK1KMT2A
SCHEMBL11364500 0.72 EPHX1 (0.57) KMT2A
SCHEMBL17582498 0.72 PLK1 (0.56) PLK1NPC1RAB9A
SCHEMBL11158773 0.71 PLK1 (0.55) PLK1NPC1RAB9AKMT2A
SCHEMBL5443490 0.71 ALDH1A1 (0.57) NPC1RAB9AKMT2A
SCHEMBL5455257 0.71 GAA (0.58)
SCHEMBL5455082 0.70 ALDH1A1 (0.53) NPC1RAB9AKMT2A

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
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed