SCHEMBL13206252

SCHEMBL13206252

CCCCOc1ccc(-c2ncccn2)cc1C(=O)Nc1cc(-c2ccccc2)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.53
ACLY P53396 5/20 0.50
PTPN1 P18031 2/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
PTPN6 P29350 1/20 0.47
PLK1 P53350 2/20 0.46
TP53 P04637 1/20 0.46
MAPK8 P45983 1/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 1/20 0.43
WDR5 P61964 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
SCHEMBL12121495 0.91 PTPN11 (0.51) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12165967 0.90 PTPN11 (0.53) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12121601 0.89 LRRK2 (0.51) PTPN11ACLYPTPN1PTPN6
SCHEMBL12121536 0.87 PTPN11 (0.50) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12166056 0.87 PTPN11 (0.50) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12121604 0.86 ACLY (0.54) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12166024 0.86 PTPN11 (0.49) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12121607 0.86 PTPN11 (0.49) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL12166000 0.85 PTPN11 (0.48) PTPN11ACLYPTPN1AKR1C3AKR1C2
SCHEMBL13206300 0.85 PTPN11 (0.48) PTPN11ACLYPTPN1AKR1C3AKR1C2

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
WO-2010087430-A1 N-ACYL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF 富山化学工業株式会社 (JP) 2010-08-05 WO disclosed