SCHEMBL17801689

SCHEMBL17801689

O=C(O)Oc1ccc2nc(-c3cccnc3)sc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
PIK3CA P42336 2/20 0.46
PIK3CG P48736 1/20 0.46
SCD O00767 2/20 0.46
PIK3CD O00329 1/20 0.45
PIP5K1C O60331 1/20 0.45
PI4KA P42356 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
KMT2A Q03164 2/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL17801688 0.82 KDM4E (0.74) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL30421174 0.82 APP (0.61) NPC1RAB9AGLAGAA
SCHEMBL17801310 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL17801744 0.82 APP (0.49) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL30420821 0.78 RAB9A (0.66) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL28175321 0.77 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL17803457 0.77 NPC1 (0.47) NPC1RAB9AKDM4ELMNAALOX5
SCHEMBL21566079 0.77 APP (0.64) RAB9AGLAGAA
SCHEMBL17801309 0.75 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL11778594 0.75 MAPT (0.70) NPC1RAB9ASMN1; SMN2KDM4ENFKB1

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-3227283-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087371-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed