SCHEMBL367390

SCHEMBL367390

O=C(O)c1c2ccccc2n2cc(OS(=O)(=O)C3CC3)cc(O)c12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.34
HTR3A P46098 2/20 0.32
EGFR P00533 1/20 0.32
HRH2 P25021 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLA2G2A P14555 1/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL367245 0.90 EGFR (0.33) HTR3AEGFRMEN1KMT2A
SCHEMBL365226 0.86 ATM (0.37) AGTR1HRH2ALDH1A1L3MBTL1MAPT
SCHEMBL366116 0.86 CA1 (0.41) AGTR1EGFR
SCHEMBL366075 0.77 MAPT (0.35) EGFRALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL367409 0.74 EPHX1 (0.48) ALDH1A1SMN1; SMN2TSHRKDM4EMEN1
SCHEMBL365213 0.74 PKM (0.39) EGFRALDH1A1TSHRMEN1KMT2A
SCHEMBL367389 0.74 IDO1 (0.36) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL367671 0.73 PSEN1 (0.39) AGTR1EGFRALDH1A1SMN1; SMN2TSHR
SCHEMBL366020 0.73 STS (0.41) AGTR1EGFRALDH1A1L3MBTL1MAPT
SCHEMBL366821 0.73 AGTR1 (0.41) AGTR1EGFRALDH1A1L3MBTL1MAPT

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