SCHEMBL9059505

SCHEMBL9059505

CCCCNC(=Nc1ccccc1N1CCOSC1)NC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
NAPEPLD Q6IQ20 2/20 0.33
PKM P14618 1/20 0.32
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 3/20 0.30
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL9424589 0.87
SCHEMBL27303199 0.86 BCHE (0.37) BCHEGAAL3MBTL1SMN1; SMN2NAPEPLD
SCHEMBL9059818 0.86 SMN1; SMN2 (0.46) GAAL3MBTL1SMN1; SMN2NAPEPLDPKM
SCHEMBL9059822 0.86 SMN1; SMN2 (0.46) GAAL3MBTL1SMN1; SMN2NAPEPLDPKM
SCHEMBL9424109 0.83 SMN1; SMN2 (0.47) GAAL3MBTL1SMN1; SMN2NAPEPLDMAPT
SCHEMBL9424111 0.83 SMN1; SMN2 (0.47) GAAL3MBTL1SMN1; SMN2NAPEPLDMAPT
SCHEMBL9059509 0.81 GAA (0.39) BCHEGAAL3MBTL1PKMMAPT
SCHEMBL9059508 0.81 MAPT (0.34) GAASMN1; SMN2NAPEPLDMAPTKMT2A
SCHEMBL9424133 0.81
SCHEMBL9424240 0.79 SMN1; SMN2 (0.42) GAAL3MBTL1SMN1; SMN2NAPEPLDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed