SCHEMBL21033435

SCHEMBL21033435

CC(=O)COc1ccccc1Oc1nc(NC(=O)CC(=O)C(F)(F)F)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
LMNA P02545 4/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL22789719 0.89 TSHR (0.48) MAPTTP53SENP2SENP1LMNA
SCHEMBL22789749 0.79 MEN1 (0.41) MAPTLMNATSHRALDH1A1POLB
SCHEMBL23060028 0.77 LMNA (0.36) MAPTTP53LMNAALDH1A1POLB
SCHEMBL19655813 0.73 DHODH (0.33) MAPTTP53LMNATSHRPOLB
SCHEMBL19655799 0.71 DHODH (0.31) MAPTTP53LMNA
SCHEMBL19655870 0.70 PPIA (0.35) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19641805 0.70 PTGER1 (0.46) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL21033434 0.69 LMNA (0.34) MAPTTP53SENP2SENP1LMNA
SCHEMBL19655849 0.69 PPIA (0.40) TP53ALDH1A1RAB9ASMN1; SMN2
SCHEMBL21038603 0.67 MAPK8 (0.41) MAPTALDH1A1POLBKMT2AKDM4E

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-2019101513-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2019-05-31 WO disclosed