SCHEMBL9424709

SCHEMBL9424709

CN/C(=N\c1ccccc1N1CCOCC1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 3/20 0.37
AKR1C3 P42330 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KCNQ2 O43526 1/20 0.36
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9424714 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL9424339 0.87 GAA (0.44) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9424336 0.87 GAA (0.44) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9059637 0.86 GAA (0.43) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9059633 0.86 GAA (0.43) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9060248 0.84 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9060243 0.84 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9059775 0.83 ALOX15 (0.44) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL9060397 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1ALOX15
SCHEMBL9060394 0.82 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AL3MBTL1ALOX15

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 3 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