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SCHEMBL874223

SCHEMBL874223

C=C(CCO/N=C(\C)c1cccc(C)n1)c1cccc(CC=O)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ HKDC1 Q2TB90 1/20 0.32
▸ DUSP3 P51452 1/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL875035 0.89 DUSP3 (0.32) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL874610 0.84 HSP90AA1 (0.35) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL883002 0.83 P2RX7 (0.39) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL883004 0.82 HSP90AA1 (0.37) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL874106 0.78 P2RX7 (0.41) HSP90AA1P2RX7HKDC1DUSP3PTPN11
SCHEMBL12467180 0.77 HSP90AA1 (0.34) HSP90AA1P2RX7HKDC1
SCHEMBL874169 0.77 HSP90AA1 (0.33) HSP90AA1P2RX7HKDC1
SCHEMBL10272880 0.75 HKDC1 (0.33) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL16163766 0.75 HKDC1 (0.33) HSP90AA1HKDC1DUSP3PTPN11
SCHEMBL3592540 0.75 HSP90AA1 (0.44) HSP90AA1P2RX7HKDC1DUSP3PTPN11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619181-A1 NOVEL MICROBIOCIDES Syngenta Participations AG (CH) 2013-07-31 — — EP disclosed
WO-2012038521-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-03-29 — — WO disclosed