SCHEMBL9424322

SCHEMBL9424322

CN=C(Nc1ccccc1N1CCOCC1)SC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
TSHR P16473 3/20 0.49
KCNQ2 O43526 1/20 0.49
PKM P14618 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.48
HPGD P15428 1/20 0.48
MAPK10 P53779 1/20 0.48
USP2 O75604 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL9424320 1.00 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9423861 0.99 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9423859 0.99 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9423947 0.86 L3MBTL1 (0.50) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2
Iodide SCHEMBL9423948 0.86 L3MBTL1 (0.50) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL9424125 0.86 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1L3MBTL1RECQL
SCHEMBL9424126 0.86 SMN1; SMN2 (0.54) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9424035 0.85 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9424032 0.85 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1L3MBTL1RECQL
Iodide SCHEMBL9424038 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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