SCHEMBL175148

SCHEMBL175148

Cn1[nH]c(-c2c(F)cccc2F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
THRB P10828 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LDHA P00338 2/20 0.33
ADORA2B P29275 1/20 0.33
PBRM1 Q86U86 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TTR P02766 1/20 0.33
CXCR2 P25025 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 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
SCHEMBL31081342 0.81 KDM5B (0.47) NOX4MAPTLDHAPOLBKDM5A
SCHEMBL7809115 0.81 KDM5B (0.47) NOX4MAPTLDHAPOLBKDM5A
SCHEMBL5394842 0.73 MAPT (0.52) MEN1KMT2AKDM4ETHRBALDH1A1
SCHEMBL14994888 0.71 HTR2C (0.35) NOX4MEN1KMT2AADORA2BPBRM1
SCHEMBL23400749 0.70 MEN1 (0.51) MEN1KMT2AKDM4EGAATHRB
SCHEMBL23402302 0.69 LDHA (0.48) NOX4KMT2AKDM4EALDH1A1MAPT
SCHEMBL17290637 0.68 RAB9A (0.49) MEN1KMT2AKDM4EGAATHRB
SCHEMBL23402953 0.67 KDM4E (0.49) NOX4MEN1KMT2AKDM4EGAA
SCHEMBL761767 0.67 MEN1 (0.41) MEN1KMT2AKDM4EGAATHRB
SCHEMBL7167710 0.66 GRIN2D (0.34) NOX4MEN1KMT2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611297-A1 FUNGICIDAL PYRAZOLES E.I. Du Pont De Nemours And Company (US) 2013-07-10 EP disclosed
WO-2012030922-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-08 WO disclosed