SCHEMBL21584405

SCHEMBL21584405

COc1c(Cl)ccc(-c2nc(N)c(Br)c(C(=O)OCc3ccn[nH]3)n2)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NAMPT P43490 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL21584387 0.83 MAPT (0.40) ALDH1A1
SCHEMBL21584392 0.82 ABL1 (0.35) MEP1BALDH1A1TSHRNAMPTP2RX7
SCHEMBL1222941 0.81 MEP1B (0.39) MEP1BALDH1A1TSHR
SCHEMBL21584413 0.80 SLC6A2 (0.36) MEP1BALDH1A1TSHR
SCHEMBL21584403 0.80 HTT (0.32) MEP1B
SCHEMBL1223251 0.79 ALDH1A1 (0.41) MEP1BALDH1A1TSHR
SCHEMBL21584434 0.78 MAPT (0.43) MEP1BALDH1A1
SCHEMBL11940258 0.76 MAPT (0.41) ALDH1A1
SCHEMBL21584374 0.75 ALDH1A1 (0.37) MEP1BALDH1A1
SCHEMBL679235 0.75 GRM6 (0.37) MEP1BALDH1A1TSHR

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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