SCHEMBL2462772

SCHEMBL2462772

Nc1cc(-c2cnco2)nc(OC(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.35
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 1/20 0.32
NOTUM Q6P988 1/20 0.32
IMPDH2 P12268 4/20 0.32
IMPDH1 P20839 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
LTA4H P09960 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
HDAC4 P56524 2/20 0.31
HDAC3 O15379 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL2462771 0.80 TDP1 (0.37) MYCCYP4F2CYP4A11MEN1KMT2A
SCHEMBL2470392 0.77 ATR (0.34)
SCHEMBL6167438 0.76 NOTUM (0.40) MYCMEN1KMT2AMAP4K4NOTUM
SCHEMBL2466572 0.76 NQO2 (0.38) MEN1KMT2AIMPDH2IMPDH1KDM4E
SCHEMBL2466332 0.76 MAPT (0.44) MEN1KMT2ACYP2C9
SCHEMBL2466200 0.75 PIM2 (0.36) KDM4EHDAC3HDAC1HDAC2HDAC8
SCHEMBL2470000 0.75 ACHE (0.45) MEN1KMT2AKDM4E
SCHEMBL2468160 0.74 CTRC (0.46) MEN1KMT2AKDM4ECYP2C9
SCHEMBL2468806 0.74 MAPT (0.45) MEN1KMT2AKDM4ENPC1HDAC2
SCHEMBL2465267 0.73 PIK3CD (0.43) MAP4K4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed