SCHEMBL5324102

SCHEMBL5324102

O=[N+]([O-])c1ccc2c(c1)C1CC2C(F)(F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.52
CHRNA3 P32297 4/20 0.52
KDM1A O60341 1/20 0.44
CHRNA7 P36544 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP19A1 P11511 1/20 0.36
ADRA2A P08913 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL3128684 0.73 CHRNB4 (0.73) CHRNB4CHRNA3HSP90AA1CHRNB2CHRNA4
SCHEMBL28092025 0.72 CHRNB4 (0.67) CHRNB4CHRNA3HSP90AA1CHRNB2CHRNA4
SCHEMBL14411431 0.70 CHRNB4 (0.69) CHRNB4CHRNA3KDM1ASMN1; SMN2HSP90AA1
SCHEMBL6391337 0.70 CHRNB4 (0.59) CHRNB4CHRNA3CHRNA7SMN1; SMN2HSP90AA1
SCHEMBL451767 0.69 CHRNB4 (0.54) CHRNB4CHRNA3HSP90AA1CHRNB2CHRNA4
SCHEMBL29761230 0.69 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2062764 0.69 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6390312 0.69 CHRNB4 (0.60) CHRNB4CHRNA3CHRNA7SMN1; SMN2HSP90AA1
SCHEMBL28855727 0.69 KMT2A (0.52) KDM1ASMN1; SMN2LMNATSHRALDH1A1
Hydrochloric Acid SCHEMBL4405952 0.68 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4

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-2007124907-A2 HETEROCYCLYL-CARBOXYLIC ACID (BENZONORBORNENE-5-YL)AMIDE DERIVATIVES AS FUNGICIDES FOR AGROCHEMICAL USE SYNGENTA PARTICIPATIONS AG (CH) 2007-11-08 WO disclosed