SCHEMBL21586657

SCHEMBL21586657

CCS(C)(CC)NC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 2/20 0.38
▸ F10 P00742 12/20 0.37
▸ F2 P00734 5/20 0.37
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ PDE4B Q07343 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13318524 0.89 CARM1 (0.36) CARM1F10F2PRSS1PRSS2
SCHEMBL12827704 0.89 CARM1 (0.37) CARM1F10F2PRSS1PRSS2
SCHEMBL951313 0.89 KLKB1 (0.38) CARM1F10F2PDE4BKLKB1
SCHEMBL782368 0.88 CARM1 (0.39) CARM1F10PDE4BKLKB1ALDH1A1
SCHEMBL3679335 0.87 PDE4B (0.37) CARM1F10PDE4BKLKB1ALDH1A1
SCHEMBL13209133 0.87 PDE4B (0.41) CARM1F10PDE4BKLKB1ALDH1A1
SCHEMBL17205424 0.87 PDE4B (0.37) CARM1F10PDE4BKLKB1ALDH1A1
SCHEMBL17204815 0.87 PDE4B (0.37) CARM1F10PDE4BKLKB1ALDH1A1
SCHEMBL13318521 0.87 JAK2 (0.35) CARM1PDE4BKLKB1
SCHEMBL13318512 0.87 KLKB1 (0.35) CARM1F10PDE4BKLKB1ALDH1A1

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
EP-3578543-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 — — EP disclosed
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