SCHEMBL9424151

SCHEMBL9424151

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 3/20 0.36
AKR1C3 P42330 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
SCN9A Q15858 1/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KCNQ2 O43526 1/20 0.35
PKM P14618 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL9424153 1.00 ALOX15 (0.39) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9060038 0.90 MAPT (0.38) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9059775 0.89 ALOX15 (0.44) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9060361 0.85 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9423899 0.85 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424137 0.85 GAA (0.36) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424133 0.84
SCHEMBL9533260 0.83 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9533258 0.83 ALDH1A1 (0.38) ALOX15HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9424532 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AL3MBTL1SMN1; 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 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