SCHEMBL9424010

SCHEMBL9424010

CCCC(=Nc1ccccc1N1CCOCC1)NCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNQ2 O43526 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.36
TSHR P16473 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 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
SCHEMBL9424007 1.00 LMNA (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL9424733 0.90 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9424735 0.90 SMN1; SMN2 (0.42) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9424269 0.89 LMNA (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL9424270 0.89 LMNA (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL9060495 0.84 SMN1; SMN2 (0.43) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9424268 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9424265 0.82 LMNA (0.42) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL9059067 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1L3MBTL1NPC1
SCHEMBL9059065 0.81 SMN1; SMN2 (0.50) LMNASMN1; SMN2ALDH1A1L3MBTL1NPC1

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