SCHEMBL4448746

SCHEMBL4448746

FC(F)(F)c1ccc2c(c1)nc(-c1ccncc1S)n2C1CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.67
HTR6 P50406 1/20 0.67
CYP11B2 P19099 15/20 0.55
CYP11B1 P15538 11/20 0.55
CYP19A1 P11511 1/20 0.45
USP2 O75604 3/20 0.43
PKM P14618 1/20 0.43
PDE2A O00408 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE10A Q9Y233 1/20 0.43
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL168295 0.89 HTR2B (0.67) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL167581 0.85 HTR2B (0.62) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL169511 0.83 HTR2B (0.60) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL169054 0.83 HTR2B (0.60) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL168806 0.82 HTR2B (0.59) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL168857 0.81 HTR2B (0.58) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL4401183 0.81 PDE10A (0.46) HTR2BHTR6CYP11B2CYP11B1PDE2A
SCHEMBL169729 0.81 HTR2B (0.57) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL17896632 0.80 HTR2B (0.62) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL17896633 0.78 HTR2B (0.60) HTR2BHTR6CYP11B2CYP11B1CYP19A1

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-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-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-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-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-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
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