SCHEMBL9675458

SCHEMBL9675458

COc1ccc(C(=N)N2CCCc3cc(C4=NNC(=O)SC4C)ccc32)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.72
PDE3A Q14432 9/20 0.72
KCNH2 Q12809 1/20 0.66
RORC P51449 1/20 0.40
S1PR1 P21453 2/20 0.38
PDE4A P27815 8/20 0.37
PDE4B Q07343 8/20 0.37
PDE4C Q08493 8/20 0.37
PDE4D Q08499 8/20 0.37
NR3C1 P04150 3/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9639164 0.94 KCNH2 (0.68) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9639036 0.91 KCNH2 (0.75) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9639040 0.91 KCNH2 (0.75) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9671601 0.89 KCNH2 (0.73) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9671610 0.89 KCNH2 (0.73) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9638156 0.87 KCNH2 (0.70) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9638153 0.87 KCNH2 (0.70) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9639121 0.86 KCNH2 (0.69) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9639129 0.86 KCNH2 (0.69) PDE3BPDE3AKCNH2RORCS1PR1
SCHEMBL9638230 0.84 PDE3B (0.64) PDE3BPDE3AKCNH2RORCPDE4A

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-0492257-A1 Thiadiazinone derivatives MERCK PATENT GmbH (DE) 1992-07-01 EP disclosed