SCHEMBL9838829

SCHEMBL9838829

O=C1C=CC(=O)N1c1ccc(O)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.55
HSP90AA1 P07900 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TLR9 Q9NR96 3/20 0.43
FAAH O00519 3/20 0.39
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
G6PD P11413 1/20 0.39
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
ESRRA P11474 1/20 0.36

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
SCHEMBL5075633 0.80 MGLL (0.59) MGLLHSP90AA1TLR9FAAHG6PD
SCHEMBL10587190 0.78 MGLL (0.57) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL29510662 0.77 MGLL (0.55) MGLLHSP90AA1NPSR1PKMTDP1
SCHEMBL3769866 0.77 MGLL (0.55) MGLLHSP90AA1NPSR1PKMTDP1
SCHEMBL30474623 0.77 ESR1 (0.62) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL3869199 0.77 ESR1 (0.62) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL9837527 0.77 MGLL (0.55) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL9838914 0.74 MGLL (0.59) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL30474621 0.74 MGLL (0.59) MGLLHSP90AA1NPSR1PKMMAPK1
SCHEMBL26659465 0.74 PTPN1 (0.56) MGLLHSP90AA1NPSR1PKMMAPK1

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
US-5075453-A Process for producing aryloxy-substituted phosphazene derivatives NIPPON SODA CO., LTD. (JP) 1991-12-24 US disclosed