SCHEMBL4406075

SCHEMBL4406075

Cn1c(-c2ccncc2OCCO)nc2cc(C(F)(F)F)cnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
GPBAR1 Q8TDU6 2/20 0.41
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
EIF4EBP1 Q13541 1/20 0.34
PDE2A O00408 3/20 0.34
PDE10A Q9Y233 3/20 0.34
MAPT P10636 1/20 0.34
PDE6D O43924 1/20 0.34
PDE6A P16499 1/20 0.34
PDE6G P18545 1/20 0.34
PDE6B P35913 1/20 0.34
PDE6C P51160 1/20 0.34
PDE6H Q13956 1/20 0.34
PDE7A Q13946 1/20 0.33
BUB1 O43683 1/20 0.33
PTGS2 P35354 2/20 0.33

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
SCHEMBL117769 0.93 POLB (0.42) POLBGPBAR1CYP17A1SMN1; SMN2EIF4EBP1
SCHEMBL354193 0.91 POLB (0.45) POLBGPBAR1CYP17A1SMN1; SMN2EIF4EBP1
SCHEMBL355786 0.90 POLB (0.42) POLBGPBAR1SMN1; SMN2PDE2APDE10A
SCHEMBL4405288 0.90 POLB (0.42) POLBGPBAR1CYP11B1CYP11B2CYP17A1
SCHEMBL120109 0.89 POLB (0.48) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL115920 0.89 POLB (0.44) POLBGPBAR1CYP17A1SMN1; SMN2PDE2A
SCHEMBL117233 0.88 POLB (0.45) POLBGPBAR1CYP17A1SMN1; SMN2EIF4EBP1
SCHEMBL10284933 0.88 POLB (0.43) POLBGPBAR1CYP11B1CYP11B2CYP17A1
SCHEMBL117897 0.87 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A
SCHEMBL10284540 0.87 POLB (0.42) POLBCYP17A1SMN1; SMN2PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012057264-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057273-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057265-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057260-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057268-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057266-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057269-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed