SCHEMBL9367263

SCHEMBL9367263

O=C(Cc1ccc2ccccc2c1)Nc1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.83
NLRP3 Q96P20 1/20 0.76
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 5/20 0.70
KMT2A Q03164 5/20 0.70
EPHX2 P34913 1/20 0.66
MAPT P10636 3/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
RIOK2 Q9BVS4 4/20 0.57
GSK3A P49840 2/20 0.57
MAPK10 P53779 2/20 0.57
MAPK8 P45983 1/20 0.57

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
SCHEMBL2038480 0.92 L3MBTL1 (0.76) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL11285414 0.89 NLRP3 (0.74) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL13533414 0.89 NR1H4 (0.76) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL28869815 0.88 NR1H4 (0.79) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL13451637 0.88 NR1H4 (0.74) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL13451638 0.88 NR1H4 (0.74) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL14344626 0.85 MEN1 (0.76) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL28869800 0.85 NLRP3 (0.73) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL11275576 0.84 KMT2A (0.67) NR1H4NLRP3L3MBTL1MEN1KMT2A
SCHEMBL28869801 0.84 NR1H4 (0.69) NR1H4NLRP3L3MBTL1MEN1KMT2A

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
EP-0409163-B1 Novel cyclic vinylogous N-hydroxy-N-methylureas useful as 5-lipoxygenase inhibitors MERRELL DOW PHARMA (US) 1994-12-21 EP disclosed