SCHEMBL21584392

SCHEMBL21584392

COc1c(Cl)ccc(-c2nc(NCc3ccn[nH]3)c(Cl)c(C(=O)OCc3ccn[nH]3)n2)c1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ NAMPT P43490 2/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ PDE5A O76074 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ MEP1B Q16820 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL21584405 0.82 MEP1B (0.32) NAMPTALDH1A1P2RX7MEP1BTSHR
SCHEMBL21584404 0.80 CYP1A2 (0.36) PDE5AALDH1A1MEN1MAPTKMT2A
SCHEMBL21584383 0.80 SLC26A6 (0.36) PDE5AALDH1A1MEN1MAPTKMT2A
SCHEMBL21584371 0.80 PDE10A (0.35) PDE5AALDH1A1MEN1MAPTKMT2A
SCHEMBL1654721 0.78 CYP1A2 (0.43) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL21584410 0.77 CYP1A2 (0.40) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL21584372 0.76 POLB (0.36) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL21584428 0.76 POLB (0.38) PDE5AALDH1A1MEN1MAPTKMT2A
SCHEMBL21584408 0.76 LMNA (0.43) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL21584389 0.76 CYP1A2 (0.36) ALDH1A1MEN1MAPTKMT2ANPSR1

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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