SCHEMBL11173991

SCHEMBL11173991

N#CSc1cc(N)c(SC#N)cc1N

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
USP8 P40818 1/20 0.56
USP5 P45974 1/20 0.56
USP4 Q13107 1/20 0.56
USP7 Q93009 1/20 0.56
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
HTT P42858 1/20 0.34
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTK2 Q05397 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
SCHEMBL10412909 0.92 USP2 (0.60) USP2USP8USP5USP4USP7
SCHEMBL11373902 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11374071 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11367939 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11373307 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL11374139 0.79 USP2 (0.47) USP2USP8USP5USP4USP7
SCHEMBL4674502 0.77 USP2 (0.41) USP2USP8USP5USP4USP7
SCHEMBL2318636 0.75 USP2 (0.44) USP2USP8USP5USP4USP7
SCHEMBL8131924 0.75 NPC1 (0.53) USP2USP8USP5USP4USP7
SCHEMBL6302735 0.74 USP2 (0.42) USP2USP8USP5USP4USP7

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
US-4404070-A Electrochemical production of 2,6-diaminobenzobisthiazole CELANESE CORPORATION (US) 1983-09-13 US disclosed