SCHEMBL8911586

SCHEMBL8911586

CC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
POLB P06746 2/20 0.66
MAPT P10636 5/20 0.62
HTT P42858 3/20 0.62
NPSR1 Q6W5P4 1/20 0.62
NFKB1 P19838 3/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
PTGS2 P35354 2/20 0.55
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
TXN P10599 1/20 0.51
KDM4E B2RXH2 2/20 0.51

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
SCHEMBL13240421 0.87 NPC1 (0.77) NPC1RAB9APOLBMAPTHTT
SCHEMBL4094573 0.84 NFKB1 (0.61) NPC1RAB9APOLBMAPTNFKB1
SCHEMBL13654063 0.83 NFKB1 (0.57) NPC1RAB9APOLBMAPTHTT
SCHEMBL14388020 0.83 POLB (0.93) POLBMAPTNFKB1MEN1KMT2A
SCHEMBL6673841 0.83 CA12 (0.57) POLBMAPTNFKB1MEN1KMT2A
SCHEMBL8518925 0.82 MEN1 (0.68) NPC1RAB9APOLBMAPTHTT
SCHEMBL28316334 0.81 CA1 (0.55) NPC1RAB9APOLBMAPTNFKB1
SCHEMBL11837292 0.81 NFKB1 (0.78) NPC1RAB9APOLBMAPTNFKB1
SCHEMBL304437 0.81 POLB (0.63) NPC1RAB9APOLBMAPTNFKB1
SCHEMBL18516810 0.81 NPC1 (0.68) NPC1RAB9APOLBMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652327-A Triazine polymers HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
EP-0668529-A2 Triazine polymers HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-23 EP disclosed