SCHEMBL21584391

SCHEMBL21584391

COc1c(Cl)ccc(-c2nc(NCn3cccn3)c(Cl)c(C(=O)OCn3cccn3)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MEP1B Q16820 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ S1PR2 O95136 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ XBP1 P17861 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL21584410 0.90 CYP1A2 (0.40) KLKB1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1654721 0.75 CYP1A2 (0.43) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL21584392 0.75 ABL1 (0.35) MEP1BALDH1A1MAPTNPSR1
SCHEMBL21584408 0.74 LMNA (0.43) LMNAALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL21584389 0.74 CYP1A2 (0.36) ALDH1A1MAPTNPSR1
SCHEMBL21584461 0.74 KDM4E (0.40) LMNAALDH1A1MAPTHTTRAB9A
SCHEMBL1656975 0.74 MEN1 (0.37) MEP1BALDH1A1MAPTSMN1; SMN2
SCHEMBL2682965 0.73 SMN1; SMN2 (0.40) LMNAMEP1BMAPTSMN1; SMN2
SCHEMBL1611059 0.73 CRHR1 (0.39) MEP1B
SCHEMBL21584371 0.73 PDE10A (0.35) MEP1BALDH1A1MAPTNPSR1

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
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