SCHEMBL7863641

SCHEMBL7863641

CO/N=C(\C)c1ccc(Br)c(Br)c1.CO/N=C(\C)c1ccc(F)cc1Br.CO/N=C(\C)c1ccccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.34
PTBP1 P26599 1/20 0.34
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPA1 O75762 1/20 0.32
F2R P25116 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
SCHEMBL7777665 0.94 SMN1; SMN2 (0.38) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL7571034 0.90 CASP3 (0.47) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL7868304 0.88 CA12 (0.34) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL6815992 0.83 TRPA1 (0.39) RAB9ASMN1; SMN2LMNAPTBP1MEN1
SCHEMBL6815999 0.83 TRPA1 (0.39) RAB9ASMN1; SMN2LMNAPTBP1MEN1
SCHEMBL6811303 0.79 GSK3B (0.41) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL6811307 0.79 GSK3B (0.41) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL6816603 0.77 NPC1 (0.46) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL6816599 0.77 NPC1 (0.46) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL7570657 0.76 RAB9A (0.39) RAB9ASMN1; SMN2CA12CA1CA2

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
EP-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed