SCHEMBL6571700

SCHEMBL6571700

NC(=NO)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORB Q92753 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
RORC P51449 2/20 0.34
KCNN4 O15554 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDM1A O60341 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 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
SCHEMBL642255 0.82 CES2 (0.46) CES2CES1GRIN2DGRIN3BGRIN1
SCHEMBL642256 0.82 CES2 (0.46) CES2CES1GRIN2DGRIN3BGRIN1
SCHEMBL23064259 0.79 CES2 (0.36) RORBCES2CES1RORCSTIM1
SCHEMBL7916930 0.79 KIF11 (0.33) NPC1GAARAB9AKDM1A
SCHEMBL23064257 0.79 CES2 (0.36) RORBCES2CES1RORCSTIM1
SCHEMBL3708513 0.78 CES2 (0.48) RORBCES2CES1RORCKCNN4
SCHEMBL17054742 0.78 CES2 (0.39) RORBCES2CES1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4371024 0.76 CES2 (0.47) RORBCES2CES1RORCKCNN4
SCHEMBL8378366 0.76 CES2 (0.40) CES2CES1GRIN2DGRIN3BGRIN1
SCHEMBL21163487 0.74 ACHE (0.41) CES2CES1GRIN2DGRIN3BGRIN1

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-0805148-B1 BENZAMIDOXIME DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND AGROHORTICULTURAL BACTERICIDE NIPPON SODA CO (JP) 2004-09-22 EP disclosed
US-5942538-A HALOBENZAMIDOXIME DERIVATIVE USED AS NONTOXIC FUNGICIDE NIPPON SODA CO., LTD. (JP) 1999-08-24 US disclosed
US-5847005-A Benzamidoxime derivatives, process production thereof, and agrohorticultural bactericide NIPPON SODA CO., LTD. (JP) 1998-12-08 US disclosed
EP-0805148-A1 BENZAMIDOXIME DERIVATIVE, PROCESS FOR PRODUCTION THEREOF, AND AGROHORTICULTURAL BACTERICIDE NIPPON SODA CO., LTD. (JP) 1997-11-05 EP disclosed