SCHEMBL6914527

SCHEMBL6914527

CCCCc1c(N)c(SC)cc(SC)c1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOS2 P35228 1/20 0.38
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
IKBKB O14920 1/20 0.30

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
SCHEMBL6909596 0.82 SKP2 (0.38) SKP2NPC1HPGDMAPK1HTT
SCHEMBL6911166 0.79 NOS3 (0.30) NOS2
SCHEMBL6912403 0.74 TLR8 (0.34) SKP2NOS2TLR8
SCHEMBL10430962 0.74 SKP2 (0.48) SKP2NPC1HPGDMAPK1HTT
SCHEMBL6910768 0.72 AOC3 (0.32)
SCHEMBL9803884 0.72 ALDH1A1 (0.35) HTTNOS2KDM4E
SCHEMBL8764984 0.72 KMT2A (0.33)
SCHEMBL28433281 0.71 SKP2 (0.39) SKP2NPC1HPGDMAPK1HTT
SCHEMBL5185158 0.70 SKP2 (0.41) SKP2NPC1HPGDMAPK1HTT
SCHEMBL19988216 0.68 HTT (0.37) HTT

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-1265940-B1 AROMATIC AMINE CURATIVES AND THEIR USE ALBERMARLE CORP (US) 2004-10-27 EP disclosed
US-6509434-B1 Condensation polymerization of alkylthiated mononuclear aromatic amines and isocyanate prepolymer to produce polyurethanes, polyureaurethanes and/or polyureas ALBEMARLE CORPORATION 2003-01-21 US disclosed