SCHEMBL1680249

SCHEMBL1680249

Cc1nn(-c2cccnc2)cc1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 2/20 0.44
ADORA3 P0DMS8 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2E1 P05181 2/20 0.38
HTT P42858 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL1680248 0.79 NPC1 (0.50) NPC1RAB9AMAPK1ALDH1A1MEN1
SCHEMBL8369390 0.77 PDE10A (0.46) NPC1RAB9AMAPK1TLR8ALDH1A1
SCHEMBL2733010 0.76 NPC1 (0.42) NPC1RAB9AMAPK1ADORA3TLR8
SCHEMBL1195916 0.76 NPC1 (0.47) NPC1RAB9AADORA3ALDH1A1MEN1
SCHEMBL6598927 0.75 HTR2C (0.38) MAPK1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30140734 0.75 NPC1 (0.46) NPC1RAB9AMAPK1ALDH1A1CYP2A6
SCHEMBL12606911 0.75 NPC1 (0.46) NPC1RAB9AMAPK1ADORA3TLR8
SCHEMBL19372703 0.75 CYP2A6 (0.47) NPC1RAB9AMAPK1TLR8CYP2A6
SCHEMBL15975590 0.74 LMNA (0.45) NPC1RAB9AMAPK1ADORA3CYP2A6
Hydrochloric Acid SCHEMBL1780811 0.74 NPC1 (0.46) NPC1RAB9AMAPK1ADORA3TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488510-B1 Amides and thioamides as pest control agents BAYER IP GMBH (DE) 2017-03-29 EP disclosed
EP-2488510-A1 AMIDES AND THIOAMIDES AS PESTICIDES Bayer CropScience AG (DE) 2012-08-22 EP disclosed
WO-2011045240-A1 AMIDES AND THIOAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-04-21 WO disclosed