SCHEMBL6475413

SCHEMBL6475413

N#Cc1cccc(Oc2ncsc2C(=O)O)c1.NCc1ccc(CC(N)=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
PLAU P00749 8/20 0.36
HAO1 Q9UJM8 5/20 0.35
ROCK2 O75116 1/20 0.35
PLG P00747 4/20 0.34
PLAT P00750 2/20 0.34
MAPK8 P45983 1/20 0.34
NR1H3 Q13133 1/20 0.34
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL6475411 0.86 AR (0.37) F10ROCK2MAPK8
SCHEMBL6482506 0.81 HAO1 (0.44) HAO1PTGER4PTGER2
SCHEMBL6484313 0.80 SRD5A2 (0.38)
SCHEMBL6482198 0.72 HPGD (0.43) MAPK8
SCHEMBL6483899 0.71 SMN1; SMN2 (0.41) ROCK2MAPK8PTGER4PTGER2
SCHEMBL6476121 0.71 PDE4A (0.44) PTGER4PTGER2
SCHEMBL6474340 0.69 AR (0.39) PTGER4PTGER2NOS1NOS2
SCHEMBL6474823 0.69 FNTA (0.45) F10
SCHEMBL28091937 0.68 CA2 (0.46) MAPK8
SCHEMBL5373538 0.67 MAPK8 (0.50) MAPK8

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
US-6869945-B2 Pyrrolyl-and imidazolyl-acid amide derivatives useful as inhibitors of PDE4 isozymes PFIZER INC (US) 2005-03-22 US disclosed