SCHEMBL9639013

SCHEMBL9639013

O=C1NN=C(c2ccc3c(c2)CCCN3)CS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.49
PDE3A Q14432 6/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP11B2 P19099 1/20 0.37
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL31116861 0.84 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7271745 0.81 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10596133 0.80 PDE3B (0.61) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9133138 0.78 PDE4A (0.44) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10744506 0.76 PDE3B (0.54) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9133946 0.75 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL6790609 0.74 PDE3B (0.56) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9136442 0.72 PDE3B (0.53) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9671492 0.72 SRC (0.39) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9639134 0.72 GPR119 (0.48) PDE3BPDE3APDE4APDE4BPDE4C

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-5137885-A THIADIAZINONES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-08-11 US disclosed
EP-0492257-A1 Thiadiazinone derivatives MERCK PATENT GmbH (DE) 1992-07-01 EP disclosed