SCHEMBL30604261

SCHEMBL30604261

CCOC(=O)/C(=C\c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ EPHX2 P34913 3/20 0.41
▸ POLB P06746 1/20 0.38
▸ HRH2 P25021 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MITF O75030 1/20 0.37
▸ CACNA2D1 P54289 1/20 0.36
▸ SLC5A1 P13866 1/20 0.35
▸ SLC5A2 P31639 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ LIPE Q05469 1/20 0.35
▸ ELANE P08246 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
SCHEMBL16073129 1.00 MAPT (0.43) MAPTSMN1; SMN2HSP90AA1HTTEPHX2
SCHEMBL16073143 0.90 MAPT (0.44) MAPTSMN1; SMN2HSP90AA1HTTPOLB
SCHEMBL16043461 0.90 EPHX2 (0.37) MAPTSMN1; SMN2HSP90AA1HTTEPHX2
SCHEMBL16043462 0.90 EPHX2 (0.37) MAPTSMN1; SMN2HSP90AA1HTTEPHX2
SCHEMBL16073145 0.86 MAPT (0.49) MAPTSMN1; SMN2HSP90AA1HTTPOLB
SCHEMBL16078614 0.86 MAPT (0.49) MAPTSMN1; SMN2HSP90AA1HTTPOLB
SCHEMBL16073124 0.83 CA12 (0.43) MAPTPOLBHRH2HRH1CACNA2D1
SCHEMBL16073126 0.83 MAPT (0.41) MAPTSMN1; SMN2POLBHRH2HRH1
SCHEMBL20602061 0.82 CYP1A2 (0.44) MAPTPOLBHRH2HRH1KDM4E
SCHEMBL16712033 0.82 POLB (0.52) MAPTSMN1; SMN2HSP90AA1HTTEPHX2

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-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 — — EP disclosed
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