SCHEMBL21993642

SCHEMBL21993642

O=C1C=CC(=O)N1c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 16/20 1.00
FAAH O00519 8/20 1.00
HSP90AA1 P07900 4/20 0.68
PKM P14618 2/20 0.68
ALDH1A1 P00352 1/20 0.68
HTT P42858 1/20 0.68
ATM Q13315 1/20 0.68
MAPK1 P28482 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
DDAH1 O94760 1/20 0.55
BCHE P06276 1/20 0.50

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
SCHEMBL9719419 1.00 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL22065552 0.94 MGLL (0.88) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL21630074 0.91 MGLL (0.83) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL1321309 0.91 MGLL (0.83) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL19511560 0.91 MGLL (0.83) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL22862127 0.89 MGLL (0.79) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL22862116 0.86 MGLL (0.73) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL8920586 0.85 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
Benzene SCHEMBL28088808 0.85 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1
SCHEMBL18713 0.85 MGLL (1.00) MGLLFAAHHSP90AA1PKMALDH1A1

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
EP-3653575-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, DEVICE PROVIDED WITH THERMALLY CONDUCTIVE LAYER FUJIFILM Corporation (JP) 2020-05-20 EP disclosed
US-20200148538-A1 SURFACE-MODIFIED INORGANIC NITRIDE, COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2020-05-14 US disclosed