SCHEMBL10667604

SCHEMBL10667604

NC(=S)Nc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
PDE3B Q13370 11/20 0.53
PDE3A Q14432 10/20 0.48
PDE4A P27815 4/20 0.48
PDE4B Q07343 4/20 0.48
PDE4C Q08493 4/20 0.48
PDE4D Q08499 4/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
KMT2A Q03164 1/20 0.43

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
SCHEMBL21241241 0.86 KCNH2 (0.58) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL6559298 0.81 KCNH2 (0.59) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL11479531 0.81 KCNH2 (0.56) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL2478615 0.80 KCNH2 (0.66) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10353452 0.79 SMN1; SMN2 (0.81) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10375055 0.79 KCNH2 (0.51) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10752098 0.79 KCNH2 (0.51) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL10669006 0.79 EPHX1 (0.56) SMN1; SMN2PDE3BLMNAMAPK1MAPT
Hydrochloric Acid SCHEMBL7295890 0.79 KCNH2 (0.64) KCNH2SMN1; SMN2PDE3BPDE3APDE4A
SCHEMBL11159064 0.79 KCNH2 (0.57) KCNH2SMN1; SMN2PDE3BPDE3APDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085985-A1 Pyridazinone derivatives, pharmaceutically acceptable salts thereof and pharmaceutical compositions comprising said compounds MITSUBISHI KASEI CORPORATION (JP) 1983-08-17 EP claimed
US-4734415-A CARDIOTONIC, HYPOTENSIVE WARNER-LAMBERT COMPANY (US) 1988-03-29 US disclosed
EP-0085985-A1 Pyridazinone derivatives, pharmaceutically acceptable salts thereof and pharmaceutical compositions comprising said compounds MITSUBISHI KASEI CORPORATION (JP) 1983-08-17 EP disclosed