SCHEMBL9094478

SCHEMBL9094478

O=C1Nc2ccccc2Oc2ccc(O)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX5 P09917 7/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 2/20 0.46
CHEK1 O14757 1/20 0.43
TOP1 P11387 1/20 0.43
ABL1 P00519 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
PRMT1 Q99873 1/20 0.41

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
SCHEMBL17988251 0.84 MAPT (0.48) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL380110 0.81 ALOX5 (0.61) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL6304472 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL34463193 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL29753145 0.81 LMNA (0.61) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL23515013 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL1367799 0.81 MAPT (0.51) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL9967368 0.81 LMNA (0.61) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL31191627 0.80 ALOX5 (0.65) MAPTTDP1MEN1KMT2AL3MBTL1
SCHEMBL28993863 0.80 ALOX5 (0.65) MAPTTDP1MEN1KMT2AL3MBTL1

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-1996029316-A1 NEW SULFONE ESTER ANALOGUES OF iso-CLOZAPINE AND RELATED STRUCTURES: ATYPICAL NEUROLEPTICS WIKSTROEM HAAKAN (NL) 1996-09-26 WO disclosed