SCHEMBL15975595

SCHEMBL15975595

C=CCN(C(=O)[C@@H](C)CSC)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
MAP3K5 Q99683 1/20 0.31
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.30
TSHR P16473 1/20 0.30
RIPK2 O43353 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
SCHEMBL15356674 1.00 NPC1 (0.33) NPC1RAB9ALMNAADORA3MAP3K5
SCHEMBL10278832 1.00 NPC1 (0.33) NPC1RAB9ALMNAADORA3MAP3K5
SCHEMBL15363425 0.90 LMNA (0.32) NPC1RAB9ALMNAMAPK1
SCHEMBL4968544 0.90 LMNA (0.32) NPC1RAB9ALMNAMAPK1
SCHEMBL15975640 0.90 LMNA (0.32) NPC1RAB9ALMNAMAPK1
SCHEMBL15363458 0.89 NPC1 (0.35) NPC1RAB9ALMNAADORA3MAP3K5
SCHEMBL10278858 0.88 NPC1 (0.37) NPC1RAB9ALMNAMAP3K5MAPK1
SCHEMBL15975675 0.87 NPC1 (0.34) NPC1RAB9ALMNAADORA3MAP3K5
SCHEMBL16269903 0.85 NPC1 (0.36) NPC1RAB9ALMNAADORA3MAP3K5
SCHEMBL14904691 0.85 NPC1 (0.36) NPC1RAB9ALMNAADORA3MAP3K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed