SCHEMBL17908

SCHEMBL17908

N#Cc1nccc(Oc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
SCN9A Q15858 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
P2RX3 P56373 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 1/20 0.38
MAPK14 Q16539 1/20 0.38
TNNI3K Q59H18 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
SCHEMBL8720576 0.83 MAPT (0.48) KDM4ENPSR1ALDH1A1BRAFKDR
SCHEMBL14831023 0.83 SMN1; SMN2 (0.46) SCN9AKCNH2KDM4EP2RX3NPSR1
SCHEMBL5622413 0.79 KMO (0.42) SCN9AKCNH2P2RX3ALDH1A1CTSS
SCHEMBL19510904 0.78 LMNA (0.46) LMNASCN9AKCNH2KDM4ENPC1
SCHEMBL31617489 0.77 LMNA (0.45) LMNASCN9AKCNH2KDM4ENPC1
SCHEMBL18709 0.75 CTSK (0.41) SMN1; SMN2CTSSCTSKALOX5APFEN1
SCHEMBL18469 0.74 CTSS (0.42) CTSSCTSKALOX5APFEN1
SCHEMBL8720537 0.74 CTSK (0.43) LMNASCN9AKDM4ENPSR1ALDH1A1
SCHEMBL18157 0.74 KMO (0.55) KCNH2KDM4ENPSR1KIF11CTSS
SCHEMBL5317905 0.72 P2RX3 (0.45) LMNAKDM4ENPC1RAB9AP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012025460-A1 OXADIAZOLINONE DERIVATIVES AND USE THEREOF IN PEST CONTROL BAYER CROPSCIENCE AG (DE) 2012-03-01 WO disclosed