SCHEMBL9059573

SCHEMBL9059573

CN1CCCCC1=Nc1ccccc1N1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
PABPC1 P11940 2/20 0.35
TSHR P16473 1/20 0.35
ACHE P22303 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.33
GAA P10253 1/20 0.32
KDM1A O60341 2/20 0.31
LGMN Q99538 1/20 0.31
KEAP1 Q14145 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
PRKDC P78527 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
SCHEMBL9424193 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9424196 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9059387 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9424678 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9424675 0.89 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9424031 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9424033 0.87 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9059118 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9059117 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDLMNAALOX15
SCHEMBL9063207 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDLMNAALOX15

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