SCHEMBL9517665

SCHEMBL9517665

O=S(=O)(ON1CCOCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
PARL Q9H300 2/20 0.51
PKM P14618 1/20 0.51
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
POLB P06746 4/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3286704 0.87 PARL (0.60) TSHRPARLPKMKMT2ASMN1; SMN2
SCHEMBL1493760 0.83 PARL (0.56) TSHRPARLPKMKMT2ASMN1; SMN2
SCHEMBL28177660 0.83 PARL (0.56) TSHRPARLPKMKMT2ASMN1; SMN2
SCHEMBL890525 0.83 USP2 (0.48) PKMKMT2ASMN1; SMN2POLBLMNA
SCHEMBL3747944 0.81 L3MBTL1 (0.57) TSHRPARLKMT2ASMN1; SMN2POLB
SCHEMBL1589535 0.79 PARL (0.51) PARLPKMKMT2AALDH1A1KDM4E
Water SCHEMBL27582516 0.77 PARL (0.50) PARLPKMKMT2AALDH1A1KDM4E
SCHEMBL9517667 0.77 L3MBTL1 (0.43) TSHRPARLKMT2APOLBALDH1A1
SCHEMBL27630329 0.76 PARL (0.49) PARLPKMKMT2ASMN1; SMN2MEN1
SCHEMBL5960399 0.76 POLB (0.80) TSHRPKMKMT2ASMN1; SMN2POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149699-A Novel salt of morpholine derivative ASTELLAS PHARMA INC 2011-08-10 CN claimed
CN-102149386-A Novel pharmaceutical composition for treating nociceptive pain ASTELLAS PHARMA INC 2011-08-10 CN claimed
CN-1950089-A Morpholine compounds PFIZER LTD (US) 2007-04-18 CN claimed
EP-0252875-B1 MICROBICIDAL AGENT CIBA-GEIGY AG (CH) 1993-01-27 EP claimed
CN-102149699-A Novel salt of morpholine derivative ASTELLAS PHARMA INC 2011-08-10 CN disclosed
CN-1950089-A Morpholine compounds PFIZER LTD (US) 2007-04-18 CN disclosed
US-5026719-A Synergistic combination of triazole fungicide and morpholine alkylarylsulfonate CIBA-GEIGY CORPORATION (US) 1991-06-25 US disclosed