SCHEMBL9424013

SCHEMBL9424013

CC(C)Cc1ccc(N2CCOCC2)c(/N=C(\N)N(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BRPF1 P55201 1/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LRRK2 Q5S007 1/20 0.36
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
GAA P10253 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
AOC3 Q16853 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL9423995 1.00 TSHR (0.39) TSHRBRPF1ALDH1A1SMN1; SMN2NPC1
SCHEMBL9423867 0.87 SIGMAR1 (0.39) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL9423865 0.87 SIGMAR1 (0.39) TSHRALDH1A1NPC1MEN1KMT2A
SCHEMBL9059748 0.84 GAA (0.36) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9059752 0.84 GAA (0.36) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9423979 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9423977 0.81 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL9059425 0.80 NPC1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9059423 0.80 NPC1 (0.36) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9424297 0.80 ALDH1A1 (0.40) TSHRALDH1A1SMN1; SMN2NPC1RAB9A

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