SCHEMBL30005939

SCHEMBL30005939

CCOCOc1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
SOD1 P00441 1/20 0.42
CYP2C19 P33261 1/20 0.42
NQO1 P15559 1/20 0.37
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 1/20 0.31

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
SCHEMBL8751920 0.84 NQO1 (0.46) NQO1TSHRTDP1
SCHEMBL1547677 0.81 MAPT (0.54) MAPTSOD1CYP2C19NQO1TSHR
SCHEMBL24854715 0.80 KMT2A (0.51)
SCHEMBL27730066 0.80 NQO1 (0.50) MAPTSOD1CYP2C19NQO1TSHR
SCHEMBL3780893 0.77 NQO1 (0.50) MAPTSOD1CYP2C19NQO1TSHR
SCHEMBL8751807 0.76 NQO1 (0.63) MAPTNQO1TSHRTDP1
SCHEMBL16101859 0.76 NQO1 (0.39) NQO1TSHRL3MBTL1TDP1
SCHEMBL16033984 0.75 NQO1 (0.34) MAPTNQO1
SCHEMBL23907053 0.74 NQO1 (0.37) NQO1TSHRTDP1
SCHEMBL28001063 0.74 KDM4E (0.51) NQO1L3MBTL1MRGPRX4

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed