SCHEMBL8093252

SCHEMBL8093252

O=c1oc(-c2c(F)cccc2F)nn1-c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABHD16A O95870 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.34
OPRM1 P35372 1/20 0.33

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
SCHEMBL8099611 0.96 ABHD16A (0.38) ABHD16ANPC1RAB9AKDM4EALDH1A1
SCHEMBL10473995 0.83 F7 (0.47) ABHD16AKDM4EKMT2AF7F3
SCHEMBL10475053 0.79 OPRM1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2F7
SCHEMBL10475369 0.78 MGLL (0.39) ALDH1A1MEN1KMT2AF7F3
SCHEMBL10475073 0.78 AR (0.43) F7F3MAPT
SCHEMBL8099693 0.77 NOTUM (0.41) ABHD16AKDM4EPOLBFAAHMGLL
SCHEMBL10475066 0.75 MAPT (0.44) KDM4ELMNAKMT2ASMN1; SMN2F7
SCHEMBL10474171 0.73 MAPK14 (0.45) NPC1RAB9ASMN1; SMN2MGLLMAPT
SCHEMBL10475283 0.73 OPRM1 (0.41) NPC1RAB9AGLAF7F3
SCHEMBL10475143 0.73 MAPT (0.40) ALDH1A1KMT2AMAPT

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
EP-0854871-B1 1,3,4-OXADIAZOLIN-2-ONES AND THEIR USE AS PESTICIDES BAYER AG (DE) 2000-08-16 EP disclosed
US-6013804-A FOR CONTROLLING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-11 US disclosed
EP-0854871-A1 1,3,4-OXADIAZOLIN-2-ONES AND THEIR USE AS PESTICIDES BAYER AG (DE) 1998-07-29 EP disclosed
WO-1997008158-A1 1,3,4-OXADIAZOLIN-2-ONES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-06 WO disclosed