SCHEMBL9424747

SCHEMBL9424747

CCC(=Nc1ccccc1N1CCOCC1)NC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNQ2 O43526 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
AKR1C3 P42330 1/20 0.37
NCF1 P14598 1/20 0.37

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
SCHEMBL9424743 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9424270 0.90 LMNA (0.46) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9424269 0.90 LMNA (0.46) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9424735 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9424733 0.88 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9059065 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9059067 0.87 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9423913 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9423911 0.86 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9059775 0.83 ALOX15 (0.44) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A

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