SCHEMBL17067720

SCHEMBL17067720

Nc1ncc(-c2ccsc2)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.58
PDGFRA P16234 4/20 0.58
CHEK2 O96017 9/20 0.52
CHEK1 O14757 3/20 0.52
CYP2A6 P11509 5/20 0.52
EPHX2 P34913 1/20 0.50
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
CYP2E1 P05181 1/20 0.46
CYP2B6 P20813 1/20 0.46

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
SCHEMBL17027779 0.79 PDGFRB (0.58) PDGFRBPDGFRACHEK2CHEK1CYP2A6
SCHEMBL11338752 0.77 CHEK2 (0.49) PDGFRBPDGFRACHEK2
SCHEMBL4621645 0.76 CHEK2 (0.67) PDGFRBPDGFRACHEK2CHEK1CYP2A6
SCHEMBL992459 0.76 ERN1 (0.53) PDGFRBPDGFRACHEK2CHEK1CYP2A6
SCHEMBL3647945 0.74 MAP4K4 (0.62) CHEK2
Hydrochloric Acid SCHEMBL11244234 0.74 CHEK2 (0.47) PDGFRBPDGFRACHEK2
SCHEMBL17067696 0.74 IDO1 (0.44)
SCHEMBL5322817 0.74 CYP2A6 (0.55) PDGFRBPDGFRACHEK2CHEK1CYP2A6
SCHEMBL8658633 0.74 CYP2A6 (0.55) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL8503219 0.73 PDGFRB (1.00) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6

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-2773631-B1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2015-09-09 EP disclosed