SCHEMBL9059508

SCHEMBL9059508

CCCCNC(=Nc1ccc(N2CCOSC2)cc1)NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 2/20 0.30
NAPEPLD Q6IQ20 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CNR2 P34972 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
SCHEMBL9424591 0.86 ADRA2A (0.37) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL9059505 0.81 BCHE (0.34) MAPTMAPK1SMN1; SMN2GAAHTT
SCHEMBL9424135 0.80 JAK2 (0.33) MAPTRAB9ASMN1; SMN2GAAALDH1A1
SCHEMBL9059323 0.73 SMN1; SMN2 (0.44) MAPTRAB9ASMN1; SMN2GAAHTT
SCHEMBL9059818 0.70 SMN1; SMN2 (0.46) MAPTRAB9ASMN1; SMN2GAAHTT
SCHEMBL9059822 0.70 SMN1; SMN2 (0.46) MAPTRAB9ASMN1; SMN2GAAHTT
SCHEMBL9059189 0.69 ADRA2A (0.42) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL27303199 0.69 BCHE (0.37) MAPTSMN1; SMN2GAAPOLBALDH1A1
SCHEMBL9059908 0.68 ALDH1A1 (0.41) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL9555559 0.68 L3MBTL1 (0.39) MAPTNPC1RAB9ASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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