SCHEMBL7778752

SCHEMBL7778752

OCCc1ccccc1NCCOc1cc2[nH]c3ccccc3c2cc1[AsH2]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
ADRB2 P07550 5/20 0.38
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
ATM Q13315 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
AHR P35869 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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
SCHEMBL7068692 0.88 ADRB2 (0.39) KDM4EALDH1A1HPGDADRB2HSD17B10
SCHEMBL7070291 0.88 ADRB2 (0.38) KDM4EALDH1A1HPGDADRB2HSD17B10
SCHEMBL7069437 0.83 KDM4E (0.42) KDM4EALDH1A1HPGDADRB2HSD17B10
SCHEMBL6905932 0.83 CTSV (0.41) KDM4EALDH1A1HPGDADRB2UTS2R
SCHEMBL7778754 0.80 ADRB2 (0.43) KDM4EADRB2KMT2AMAPTATM
SCHEMBL7781300 0.78 NR1I2 (0.33) KDM4EALDH1A1HPGDADRB2HSD17B10
SCHEMBL7072937 0.76 KIF11 (0.36) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7778751 0.72 ADRB2 (0.49) KDM4EALDH1A1ADRB2KMT2AMAPT
SCHEMBL7983732 0.71 TP53 (0.39) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL7070543 0.71 MTNR1A (0.50) KDM4EALDH1A1HPGDHSD17B10KMT2A

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-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed