SCHEMBL6816628

SCHEMBL6816628

O=C(Nc1ccc(NC(=S)NCCc2cc3ccccc3o2)cc1)Oc1cc2ccccc2cn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.41
MAPT P10636 6/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6816392 0.84 MAPT (0.44) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6812095 0.82 MAPT (0.40) MAPKAPK2MAPTRAB9ANPC1ALDH1A1
SCHEMBL6814821 0.77 ALDH1A1 (0.51) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6814830 0.77 MAPT (0.47) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7868594 0.75 RAB9A (0.48) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7165774 0.74 RAB9A (0.45) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6814956 0.74 KMT2A (0.49) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6810826 0.74 MAPT (0.53) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6816102 0.72 MAPT (0.46) MAPTRAB9ANPC1ALDH1A1MEN1
SCHEMBL6815783 0.68 KMT2A (0.53) MAPKAPK2MAPTRAB9AALDH1A1SMN1; SMN2

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-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP claimed