SCHEMBL21584415

SCHEMBL21584415

COc1c(Cl)ccc(-c2nc(NO)c(Cl)c(C(=O)SCc3ccccc3)n2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.35
▸ POLB P06746 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ACLY P53396 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL21584475 0.87 ALOX5AP (0.35) MEP1BPOLBKDM4EMEN1KMT2A
SCHEMBL1654721 0.78 CYP1A2 (0.43) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL21584409 0.76 SMN1; SMN2 (0.41) POLBMEN1KMT2ALMNAMAPT
SCHEMBL21584461 0.75 KDM4E (0.40) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL21584389 0.74 CYP1A2 (0.36) POLBKDM4EMEN1KMT2AMAPT
SCHEMBL21584408 0.74 LMNA (0.43) POLBMEN1KMT2ALMNAMAPT
SCHEMBL1653873 0.74 CYP1A2 (0.42) POLBKDM4EMEN1KMT2ALMNA
SCHEMBL21584377 0.73 GAA (0.38) POLBKMT2ALMNASMN1; SMN2ACLY
SCHEMBL25273221 0.73 SMN1; SMN2 (0.40) MEP1BKDM4EMEN1KMT2ATAS1R3
SCHEMBL21584416 0.72 ACP1 (0.35) POLBKDM4EMEN1KMT2AMAPT

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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