SCHEMBL5983378

SCHEMBL5983378

[2H]OB(O)c1ccccc1C(=O)NC(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PADI4 Q9UM07 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
CLPP Q16740 2/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL5517420 0.90 MEN1 (0.44) MEN1KMT2APADI4KDM4EALDH1A1
SCHEMBL5982667 0.74 MEN1 (0.36) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL20548792 0.70 MEN1 (0.44) MEN1KMT2APADI4KDM4EALDH1A1
SCHEMBL29469069 0.69 GAA (0.57) KDM4EPOLBGAA
SCHEMBL791333 0.69 GAA (0.57) KDM4EPOLBGAA
SCHEMBL31255732 0.67 GAA (0.37) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL31255734 0.67 GAA (0.37) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL3784749 0.65 HPGD (0.62) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4763194 0.65 PTGS2 (0.43) KMT2AKDM4EALDH1A1LMNAHSD17B10
SCHEMBL5134568 0.64 CTRB1 (0.56) ALDH1A1LMNAHPGDHSD17B10GAA

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-1628948-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF Bayer CropScience AG (DE) 2006-03-01 EP disclosed
WO-2004103953-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed