SCHEMBL365259

SCHEMBL365259

NC(=O)c1c2ccccc2n2cc(C(=O)O)ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
EGFR P00533 4/20 0.43
SRC P12931 3/20 0.43
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
AGTR1 P30556 2/20 0.39
ELANE P08246 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
RORC P51449 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL367764 0.91 EGFR (0.45) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL365935 0.89 KDM4E (0.47) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL366811 0.88 EGFR (0.44) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL367330 0.87 EGFR (0.46) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL365635 0.83 IDO1 (0.44) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL367201 0.81 EGFR (0.45) KDM4EEGFRSRCALDH1A1AGTR1
SCHEMBL364339 0.81 KMT2A (0.49) KDM4EEGFRSRCALDH1A1ELANE
SCHEMBL366876 0.79 EGFR (0.44) KDM4EEGFRSRCALDH1A1HPGD
SCHEMBL365229 0.78 HPGD (0.48) KDM4EALDH1A1HPGDCYP1A2
SCHEMBL365023 0.77 EGFR (0.40) KDM4EEGFRSRCALDH1A1HPGD

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