SCHEMBL365023

SCHEMBL365023

NC(=O)c1c2ccccc2n2cc(C(=O)O)cc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
SRC P12931 2/20 0.40
KDM4E B2RXH2 1/20 0.38
AGTR1 P30556 2/20 0.36
ELANE P08246 1/20 0.36
PLA2G10 O15496 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
RORC P51449 5/20 0.35
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL367222 0.92 EGFR (0.41) EGFRSRCELANEHTR2AHTR2C
SCHEMBL366821 0.90 AGTR1 (0.41) EGFRSRCKDM4EAGTR1RORC
SCHEMBL365771 0.89 EGFR (0.43) EGFRSRCKDM4EHTR2AHTR2C
SCHEMBL367256 0.89 EGFR (0.40) EGFRSRCKDM4EAGTR1ELANE
SCHEMBL365789 0.82 EGFR (0.41) EGFRSRCKDM4EAGTR1ALDH1A1
SCHEMBL365273 0.82 PLA2G4A (0.45) EGFRSRCKDM4ERORC
SCHEMBL366790 0.78 EGFR (0.41) EGFRSRCKDM4EAGTR1RORC
SCHEMBL365259 0.77 KDM4E (0.44) EGFRSRCKDM4EAGTR1ELANE
SCHEMBL365256 0.74 EGFR (0.40) EGFRSRCALDH1A1
SCHEMBL367766 0.74 L3MBTL1 (0.43) EGFRSRCHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed