SCHEMBL15569628

SCHEMBL15569628

Cn1nc(C(=O)OC2=CC(=O)CCC2)c(C(F)(F)F)c(-c2ccccc2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CDK8 P49336 1/20 0.33
ACVR1 Q04771 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL15570307 0.85 TP53 (0.44) TP53LMNAMAPTSMN1; SMN2MEN1
SCHEMBL15570064 0.85 TP53 (0.43) TP53LMNAMAPTSMN1; SMN2MEN1
SCHEMBL15569711 0.78 GLA (0.47) TP53LMNASMN1; SMN2GLAMEN1
SCHEMBL15569366 0.68 MAPT (0.31) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2781613 0.67 RXFP1 (0.49) TP53LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL15569514 0.66 ATM (0.38) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL15569494 0.66 TP53 (0.33) TP53MAPTALDH1A1
SCHEMBL6942981 0.66 MAPT (0.60) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15569784 0.65 LMNA (0.32) LMNASMN1; SMN2
SCHEMBL1527903 0.65 MAPT (0.37) MAPTSMN1; SMN2MEN1KMT2AKDM4E

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-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed