SCHEMBL6483899

SCHEMBL6483899

N#Cc1cccc(Oc2ncsc2C(=O)NCc2ccc(-c3ccc(C(=O)O)c(F)c3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 2/20 0.37
PTGER2 P43116 1/20 0.37
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
CNR2 P34972 1/20 0.37
ROCK2 O75116 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
VHL P40337 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK8 P45983 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
AKR1B1 P15121 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
SCHEMBL6500806 0.86 PTGER4 (0.42) SMN1; SMN2PTGER4PTGER2ROCK2
SCHEMBL6484313 0.81 SRD5A2 (0.38) SMN1; SMN2P2RX7EGLN1
SCHEMBL6475669 0.80 EPHX2 (0.42) SMN1; SMN2CNR2VHLP2RX7
SCHEMBL6475411 0.79 AR (0.37) SMN1; SMN2ROCK2P2RX7MAPK8
SCHEMBL6483444 0.78 SMN1; SMN2 (0.42) SMN1; SMN2P2RX7
SCHEMBL6482198 0.78 HPGD (0.43) SMN1; SMN2MAPK8AKR1B1
SCHEMBL6482506 0.76 HAO1 (0.44) SMN1; SMN2PTGER4PTGER2
SCHEMBL6474340 0.75 AR (0.39) SMN1; SMN2PTGER4PTGER2EGLN1
SCHEMBL6476121 0.74 PDE4A (0.44) SMN1; SMN2PTGER4PTGER2
SCHEMBL5608707 0.73 MAPK8 (0.52) PTGER4PTGER2MAPK8

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