SCHEMBL21584337

SCHEMBL21584337

COc1c(Cl)ccc(-c2nc(NCc3ccco3)c(Cl)c(C(=O)OCc3ccc(Cl)cc3)n2)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 6/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 5/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 6/20 0.38
NPSR1 Q6W5P4 4/20 0.38
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
F2 P00734 1/20 0.38
APEX1 P27695 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL21584477 0.94 ALDH1A1 (0.41) LMNARAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1610274 0.89 ALDH1A1 (0.42) LMNARAB9AKDM4EMAPTTHRB
SCHEMBL2683873 0.86 ALDH1A1 (0.39) LMNARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL1609507 0.86 MAPT (0.44) LMNARAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL22181356 0.85 MAPT (0.42) LMNARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL21584372 0.84 POLB (0.36) LMNARAB9AKDM4EMAPTHPGD
SCHEMBL1610795 0.82 ALDH1A1 (0.42) LMNARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL1609593 0.82 ALDH1A1 (0.42) LMNARAB9AKDM4ESMN1; SMN2NPC1
SCHEMBL13076207 0.82 KDM4E (0.40) LMNARAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL1610835 0.81 ALDH1A1 (0.45) LMNARAB9AKDM4ESMN1; SMN2NPC1

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-2019227771-A1 SUBSTITUTED PYRIMIDINE-4-FORMIC ACID DERIVATIVE, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 (CN) 2019-12-05 WO disclosed