SCHEMBL9424591

SCHEMBL9424591

CNC(=Nc1ccc(N2CCOSC2)cc1)NC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 3/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
SLC2A1 P11166 1/20 0.31
ALOX15 P16050 2/20 0.30
HSD17B10 Q99714 2/20 0.30
USP2 O75604 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
SCHEMBL9424135 0.90 JAK2 (0.33) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL9059189 0.78 ADRA2A (0.42) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL9424133 0.68
SCHEMBL9424755 0.68 EPHX1 (0.46) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27358557 0.67 MEN1 (0.35) MAPTALDH1A1KDM4ERAB9ALMNA
SCHEMBL9059505 0.65 BCHE (0.34) MAPTALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL27664452 0.61 ADRA2A (0.79) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL9059721 0.59 ALDH1A1 (0.46) MAPTALDH1A1KDM4ESMN1; SMN2NPSR1
SCHEMBL9424014 0.59 ADRA2A (0.53) ADRA2AADRA2BADRA2CMAPTALDH1A1
SCHEMBL9059187 0.58 SIGMAR1 (0.36)

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 7 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
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
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