SCHEMBL9424593

SCHEMBL9424593

CNC(=Nc1ccccc1N1CCSCC1)NC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
LGMN Q99538 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
AR P10275 1/20 0.33
RAB9A P51151 1/20 0.33
PRKDC P78527 1/20 0.33
NOTUM Q6P988 1/20 0.32
BCL2L2 Q92843 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TPH1 P17752 1/20 0.31
KDM1A O60341 1/20 0.31
BCHE P06276 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9424137 0.89 GAA (0.36) ACHELGMNALDH1A1CYP1A2CYP3A4
SCHEMBL9059509 0.85 GAA (0.39) ALDH1A1CYP1A2CYP3A4L3MBTL1GAA
SCHEMBL9059775 0.82 ALOX15 (0.44) ALDH1A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL9059192 0.77 SIGMAR1 (0.40) ACHELGMNTPH1
SCHEMBL9530216 0.76 GAA (0.36) ACHELGMNALDH1A1CYP1A2CYP3A4
SCHEMBL9424589 0.76
SCHEMBL9061168 0.72 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9061174 0.72 SMN1; SMN2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9424153 0.72 ALOX15 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL9424151 0.72 ALOX15 (0.39) ALDH1A1CYP1A2CYP3A4CYP2C19L3MBTL1

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
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 claimed
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 claimed
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-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