SCHEMBL8901412

SCHEMBL8901412

N/C(=N/O)c1ccccc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
F10 P00742 1/20 0.53
CA2 P00918 1/20 0.52
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL8901417 1.00 MEN1 (0.64) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL14252955 0.85 PDCD1 (0.72) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL8890716 0.83 CYP1A2 (0.62) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL8890707 0.83 CYP1A2 (0.62) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL4233723 0.81 MEN1 (0.70) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL4236226 0.80 MEN1 (0.74) MEN1KMT2ACYP1A2CYP2D6TSHR
SCHEMBL25463238 0.79 RAB9A (0.63) MEN1KMT2AKDM4EALDH1A1F10
SCHEMBL22229830 0.79 RAB9A (0.63) MEN1KMT2AKDM4EALDH1A1F10
SCHEMBL29872336 0.79 RAB9A (0.63) MEN1KMT2AKDM4EALDH1A1F10
SCHEMBL2358357 0.79 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2D6TSHR

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-1997030047-A1 FUNGICIDAL 1,2,4-OXADIAZOLES AND ANALOGUES AGREVO UK LIMITED (GB) 1997-08-21 WO disclosed