SCHEMBL11530327

SCHEMBL11530327

CC1CNN=C1c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.45
▸ PDE3A Q14432 16/20 0.45
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ TNNC1 P63316 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 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
SCHEMBL9859567 0.81 PDE3B (0.42) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11633346 0.77 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL22317993 0.77 PDE3B (0.64) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL11397791 0.76 PDE3B (0.62) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL31478134 0.73 ALDH1A1 (0.41) PDE3BPDE3ACA1CA2DGAT1
SCHEMBL11400873 0.71 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.68 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16156976 0.65 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10809030 0.64 PDE3B (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL25395315 0.64 ALDH1A1 (0.41) PDE3BPDE3ACA1CA2DGAT1

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
US-4140787-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 — — US disclosed
US-4140792-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 — — US disclosed
Send feedback