SCHEMBL7030685

SCHEMBL7030685

[CH2]C1Cn2cc(C(=O)NCc3ccc(Cl)cc3)c(=S)c3cc(CN4CCOCC4)cc(c32)O1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.54
KCNH2 Q12809 7/20 0.51
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TSHR P16473 1/20 0.40
ENPP2 Q13822 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MLLT1 Q03111 1/20 0.39

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
SCHEMBL7036233 0.91 POLA1 (0.65) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6698347 0.90 POLA1 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6700129 0.90 POLA1 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL7032124 0.88 POLA1 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6704411 0.88 POLA1 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6700511 0.88 POLA1 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6695847 0.88 POLA1 (0.52) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6702993 0.88 POLA1 (0.54) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6699641 0.87 POLA1 (0.50) POLA1KCNH2ALDH1A1NPC1RAB9A
SCHEMBL6699320 0.87 POLA1 (0.51) POLA1KCNH2ALDH1A1NPC1RAB9A

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
EP-1299395-B1 OXAZINOQUINOLONES USEFUL FOR THE TREATMENT OF VIRAL INFECTIONS UPJOHN CO (US) 2004-09-15 EP claimed