SCHEMBL9337860

SCHEMBL9337860

O=C(CCl)COc1nsnc1N1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.70
NPSR1 Q6W5P4 1/20 0.70
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
LIPA P38571 5/20 0.56
ALDH1A1 P00352 7/20 0.55
HPGD P15428 3/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 2/20 0.55
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.51

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
SCHEMBL9339905 0.82 HTT (0.60) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL9339910 0.82 HTT (0.60) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL9817959 0.81 CYP1A2 (0.63) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL1587314 0.76 CYP1A2 (0.67) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL1587140 0.76 CYP1A2 (0.67) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL12316878 0.76 KMT2A (0.82) HTTNPSR1KMT2AMEN1ALDH1A1
SCHEMBL13953865 0.76 KMT2A (0.69) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL11529594 0.75 HTT (0.61) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL30673515 0.73 CYP1A2 (0.67) HTTNPSR1KMT2AMEN1LIPA
SCHEMBL17078250 0.72 LIPA (1.00) HTTNPSR1KMT2AMEN1LIPA

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-0283147-B1 Labile ketone derivatives of 3-substituted-1-alkylamino-2-propanols and their use as beta-adrenergic blockers UNIV FLORIDA (US) 1994-05-11 EP disclosed
US-5017618-A Treatment Of Glaucoma UNIVERSITY OF FLORIDA (US) 1991-05-21 US disclosed