SCHEMBL21186231

SCHEMBL21186231

Nc1ccc(Oc2ccc(F)cc2)c(Oc2ccc(F)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 6/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 2/20 0.43
HSPB1 P04792 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
SOS1 Q07889 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21186018 0.87 PDE7A (0.47) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3024118 0.86 HSPB1 (0.50) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL30469477 0.86 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL3193820 0.86 MAPT (0.50) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL31287801 0.86 HSPB1 (0.50) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL3643464 0.86 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL5553265 0.83 CARM1 (0.47) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL1471874 0.83 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL7028593 0.82 MAPT (0.46) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL2791640 0.80 TSHR (0.47) MEN1KMT2AKDM4EALDH1A1CYP3A4

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed