SCHEMBL9025560

SCHEMBL9025560

COc1ccc(Cl)cc1N(C)c1occ2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
SHMT2 P34897 1/20 0.40
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
NQO1 P15559 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ACHE P22303 1/20 0.34
IGF1R P08069 1/20 0.34

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
SCHEMBL9032006 0.86 CYP1A2 (0.36) METAP2SHMT2HTTKMT2AMEN1
SCHEMBL9026027 0.86 TSHR (0.35) MAPK1HTTPOLBALDH1A1MAPT
SCHEMBL9025676 0.86 ACLY (0.41) SHMT2MAPK1HTTKMT2AMEN1
SCHEMBL9026853 0.86 GAA (0.45) HTTKMT2AMEN1NPC1POLB
SCHEMBL9025513 0.86 ALDH1A1 (0.50) METAP2KMT2AMEN1POLBNQO1
SCHEMBL9025279 0.85 MAPT (0.44) MAPK1HTTKMT2AMEN1ALDH1A1
SCHEMBL9026004 0.85 NQO1 (0.37) NQO1ALDH1A1MAPTTSHRACHE
SCHEMBL9024891 0.85 NQO1 (0.37) HTTKMT2AMEN1NPC1POLB
SCHEMBL9025087 0.85 ALDH1A1 (0.39) MAPK1HTTNPC1POLBNQO1
SCHEMBL9216015 0.85 NQO1 (0.37) NQO1SLC6A2SLC6A4ALDH1A1MAPT

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
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP claimed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO claimed
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed