SCHEMBL875035

SCHEMBL875035

C=C(CCO/N=C(\C)c1cccc(C)n1)c1cccc(C/C=N/OC)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HKDC1 Q2TB90 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
SCHEMBL874223 0.89 HSP90AA1 (0.33) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL883004 0.84 HSP90AA1 (0.37) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL883002 0.79 P2RX7 (0.39) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL882894 0.74 HSP90AA1 (0.38) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL10273807 0.73 HSP90AA1 (0.37) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL10272880 0.73 HKDC1 (0.33) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL16163766 0.73 HKDC1 (0.33) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL3592540 0.72 HSP90AA1 (0.44) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL3592536 0.72 HSP90AA1 (0.44) DUSP3PTPN11HSP90AA1HKDC1
SCHEMBL874610 0.72 HSP90AA1 (0.35) DUSP3PTPN11HSP90AA1HKDC1

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