SCHEMBL19129209

SCHEMBL19129209

CSCCC(=O)N(C(=O)C(C)C)c1cn(-c2cccnc2)nc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.33
MAP3K5 Q99683 1/20 0.33
DGAT1 O75907 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.31
F2 P00734 3/20 0.31
CACNA2D1 P54289 1/20 0.31
KLKB1 P03952 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RIPK2 O43353 1/20 0.31
GRM1 Q13255 1/20 0.31
CYP2E1 P05181 1/20 0.30
CYP3A4 P08684 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
SCHEMBL17590831 0.92 NPC1 (0.35) NPC1RAB9ATSHRMAP3K5DGAT1
SCHEMBL17590832 0.86 NPC1 (0.35) NPC1RAB9ATSHRMAP3K5DGAT1
SCHEMBL14904668 0.86 NPC1 (0.37) NPC1RAB9ATSHRMAP3K5DGAT1
SCHEMBL14904688 0.86 NPC1 (0.39) NPC1RAB9ADGAT1ALDH1A1GAA
SCHEMBL14904642 0.83 NPC1 (0.39) NPC1RAB9ADGAT1ALDH1A1MAPK1
SCHEMBL14904607 0.83 NPC1 (0.35) NPC1RAB9AMAP3K5DGAT1ALDH1A1
SCHEMBL16269903 0.83 NPC1 (0.36) NPC1RAB9ATSHRMAP3K5DGAT1
SCHEMBL4968689 0.82 NPC1 (0.34) NPC1RAB9ATSHRMAP3K5DGAT1
SCHEMBL2690089 0.82 ALDH1A1 (0.32) NPC1RAB9AMAP3K5DGAT1ALDH1A1
SCHEMBL10278778 0.82 NPC1 (0.35) NPC1RAB9ATSHRDGAT1ALDH1A1

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
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed