SCHEMBL9059356

SCHEMBL9059356

CNC(=O)NSc1c(C)cccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
HPGD P15428 2/20 0.41
PRKDC P78527 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9059338 0.92 ALDH1A1 (0.42) AKR1C3ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL9059530 0.87 MAPT (0.50) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL9060925 0.86 ALDH1A1 (0.38) AKR1C3ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL9059449 0.83 SMN1; SMN2 (0.45) AKR1C3ALDH1A1TSHRSMN1; SMN2MCOLN3
SCHEMBL9059608 0.80 CYP2A13 (0.52) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL20119967 0.69 PRKDC (0.47) AKR1C3ALDH1A1TSHRSMN1; SMN2MCOLN3
SCHEMBL9059648 0.69 AKR1C3 (0.44) AKR1C3ALDH1A1TSHRSMN1; SMN2MCOLN3
SCHEMBL21893900 0.68 ADRB1 (0.62) AKR1C3ALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL9060475 0.68 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL1450530 0.68 AKR1C3 (0.68) AKR1C3ALDH1A1TSHRSMN1; SMN2MCOLN3

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