SCHEMBL7065586

SCHEMBL7065586

N=C(N)N(Cl)c1cncc2cc(-c3cccc(C(=O)O)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.45
KMO O15229 2/20 0.43
ERN1 O75460 2/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
MAP4K4 O95819 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CHEK1 O14757 1/20 0.39
F9 P00740 1/20 0.38
LIMK1 P53667 1/20 0.38
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
AXL P30530 1/20 0.36
SLC22A12 Q96S37 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
Trifluoroacetic Acid SCHEMBL6436929 0.75 PLG (0.48) PLAU
SCHEMBL7378240 0.71 CA1 (0.42) CSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL7366869 0.71 PLAU (0.41) PLAU
SCHEMBL5495888 0.68 KMO (0.65) KMOERN1CSNK2A2CSNK2BMKNK1
SCHEMBL6434174 0.68 PLAU (0.50) PLAU
SCHEMBL29725579 0.67 KMO (0.74) KMOERN1MAP4K4MKNK1MKNK2
SCHEMBL29911642 0.67 KMO (0.74) KMOERN1MAP4K4MKNK1MKNK2
SCHEMBL7113226 0.67 PRSS1 (0.75) KMORXRARXRB
SCHEMBL14743086 0.66 KMO (0.68) KMOERN1RXRARXRB
SCHEMBL29923455 0.66 KMO (0.68) KMOERN1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030099693-A1 Wafer PFIZER INC. 2003-05-29 US claimed
WO-2003037395-A1 WAFER FOR WOUNDS PFIZER LIMITED (GB) 2003-05-08 WO claimed
US-20030099693-A1 Wafer PFIZER INC. 2003-05-29 US disclosed
WO-2003037395-A1 WAFER FOR WOUNDS PFIZER LIMITED (GB) 2003-05-08 WO disclosed