SCHEMBL3630243

SCHEMBL3630243

O=Cc1cccc2c1OCN2Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
ERN1 O75460 2/20 0.33
KDM4E B2RXH2 1/20 0.32
PABPC1 P11940 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2A6 P11509 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
SCHEMBL30609086 0.69 NOTUM (0.40) MEN1LMNAKMT2AKDM4EPABPC1
SCHEMBL13113610 0.69 NOTUM (0.40) MEN1LMNAKMT2AKDM4EPABPC1
SCHEMBL4774337 0.66 NOTUM (0.50) TDP1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL734868 0.64 PARP1 (0.53) MEN1LMNAKMT2ATDP1THRB
SCHEMBL29385220 0.64 PARP1 (0.53) MEN1LMNAKMT2ATDP1THRB
SCHEMBL432800 0.64 HTR1A (0.41) ALDH1A1TRIM24TRIM33
SCHEMBL10563082 0.64 RXFP1 (0.45) MEN1LMNAKMT2ATDP1THRB
SCHEMBL1012582 0.63 KDM4E (0.61) MEN1LMNAKMT2ATDP1THRB
SCHEMBL161792 0.63 GSK3B (0.54) MEN1LMNAKMT2ATDP1THRB
SCHEMBL4992978 0.63 MEN1 (0.44) MEN1LMNAKMT2ATDP1THRB

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
WO-2010149309-A2 CYCLOALKYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed
WO-2010149283-A2 PHENYLOXY(THIO)PHENYLAMIDOBENZOXA(THIA)ZOLES BAYER CROPSCIENCE AG (DE) 2010-12-29 WO disclosed