SCHEMBL9423926

SCHEMBL9423926

CNC(=S)Nc1ccccc1N1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.64
KMT2A Q03164 5/20 0.64
MAPK1 P28482 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 7/20 0.60
NPSR1 Q6W5P4 7/20 0.60
LMNA P02545 5/20 0.60
MAPT P10636 9/20 0.60
TDP1 Q9NUW8 2/20 0.60
HTT P42858 2/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL9424244 0.86 ALDH1A1 (0.64) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9424190 0.80 GAA (0.59) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL865190 0.79 ALDH1A1 (0.62) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9423999 0.77 ALDH1A1 (0.97) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL10144751 0.77 L3MBTL1 (0.66) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL27480740 0.77 KDM4E (0.69) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL9059533 0.76 L3MBTL1 (0.47) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL13167002 0.76 ALDH1A1 (1.00) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
SCHEMBL12060870 0.75 L3MBTL1 (0.55) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28317746 0.75 L3MBTL1 (0.51) GAAKMT2AMAPK1L3MBTL1SMN1; SMN2

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
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
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN 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