SCHEMBL22181185

SCHEMBL22181185

COc1c(Cl)ccc(-c2nc(N)c(Cl)c(C(=O)Oc3ccccc3)n2)c1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 5/20 0.38
▸ MAPT P10636 3/20 0.36
▸ ACLY P53396 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TAS1R2 Q8TE23 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ NSD2 O96028 1/20 0.32

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
SCHEMBL29769728 0.87 KDM4E (0.38) DHPSACLYKDM4EALDH1A1HSD17B10
SCHEMBL679753 0.87 KDM4E (0.38) DHPSACLYKDM4EALDH1A1HSD17B10
SCHEMBL29443526 0.86 ALDH1A1 (0.41) DHPSACLYKDM4EALDH1A1HSD17B10
SCHEMBL678359 0.86 ALDH1A1 (0.41) DHPSACLYKDM4EALDH1A1HSD17B10
SCHEMBL21584335 0.85 MAPT (0.40) MAPTKDM4EALDH1A1POLBADORA2A
SCHEMBL679154 0.85 ALDH1A1 (0.40) DHPSACLYKDM4EALDH1A1HSD17B10
Potassium SCHEMBL679156 0.85 ALDH1A1 (0.40) DHPSACLYKDM4EALDH1A1HSD17B10
SCHEMBL21614326 0.84 ALDH1A1 (0.40) DHPSMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL12364193 0.83 MEP1B (0.36) DHPSMAPTKDM4EALDH1A1HSD17B10
SCHEMBL28100734 0.83 MAPT (0.36) DHPSMAPTKDM4EALDH1A1HSD17B10

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-2020133403-A1 SUBSTITUTED PYRIMIDINE ARYL ESTER DERIVATIVE, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2020-07-02 — — WO disclosed
Send feedback