SCHEMBL9060642

SCHEMBL9060642

CNC(=Nc1ccccc1N1CCOCC1)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 4/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 5/20 0.37
AKR1C3 P42330 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.36
KCNQ2 O43526 1/20 0.36
CYP2C9 P11712 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
SCHEMBL9060638 1.00 ALDH1A1 (0.39) ALDH1A1RECQLL3MBTL1MEN1KMT2A
SCHEMBL9060399 0.83 ALOX15 (0.41) ALDH1A1RECQLL3MBTL1MEN1KMT2A
SCHEMBL9059775 0.83 ALOX15 (0.44) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL9060394 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL9060397 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL9424607 0.82 ALOX15 (0.40) ALDH1A1RECQLL3MBTL1MEN1KMT2A
SCHEMBL9424604 0.82 ALOX15 (0.40) ALDH1A1RECQLL3MBTL1MEN1KMT2A
Iodide SCHEMBL9424454 0.82 ALOX15 (0.40) ALDH1A1RECQLL3MBTL1MEN1KMT2A
SCHEMBL9424747 0.81 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MEN1KMT2AGAA
SCHEMBL9424743 0.81 SMN1; SMN2 (0.43) ALDH1A1L3MBTL1MEN1KMT2AGAA

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
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO 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
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