SCHEMBL9424451

SCHEMBL9424451

CCCCN/C(N)=N\c1ccccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
BCHE P06276 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL9424453 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1L3MBTL1GAAALDH1A1
SCHEMBL9424268 0.88 LMNA (0.42) SMN1; SMN2NPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL9424265 0.88 LMNA (0.42) SMN1; SMN2NPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL9424172 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAAALDH1A1
SCHEMBL9424173 0.87 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1L3MBTL1GAAALDH1A1
Methylamine SCHEMBL27301998 0.86 LMNA (0.41) SMN1; SMN2NPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL27303199 0.85 BCHE (0.37) SMN1; SMN2NPSR1L3MBTL1GAAALDH1A1
SCHEMBL27295664 0.85 L3MBTL1 (0.39) SMN1; SMN2L3MBTL1GAAALDH1A1KDM4E
SCHEMBL9424023 0.85 POLB (0.41) SMN1; SMN2NPSR1L3MBTL1GAAALDH1A1
SCHEMBL9423942 0.85 ALDH1A1 (0.44) SMN1; SMN2GAAALDH1A1KDM4ETDP1

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