SCHEMBL9026467

SCHEMBL9026467

COc1ccc(Cl)cc1N(Cc1cc2cc(C(C)C)c(C)cc2o1)C(=N)N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC9A1 P19634 4/20 0.33
HTT P42858 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
LPAR1 Q92633 1/20 0.32
PKM P14618 1/20 0.31
LMNA P02545 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9025981 0.84 MAPK1 (0.36) MAPK1ALDH1A1SLC9A1HTTMAPT
SCHEMBL9026839 0.81 MAPK1 (0.40) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9025534 0.79 MAPK1 (0.40) MAPK1ALDH1A1SLC9A1MEN1KMT2A
SCHEMBL9026568 0.77 MAPK1 (0.39) MAPK1ALDH1A1HTTMEN1KMT2A
SCHEMBL9026849 0.77 MAPK1 (0.37) MAPK1SLC9A1MEN1KMT2AMAPT
SCHEMBL9025289 0.76 MAPK1 (0.38) MAPK1ALDH1A1SLC9A1HTTMEN1
SCHEMBL9218807 0.76 MAPK1 (0.39) MAPK1ALDH1A1SLC9A1MEN1KMT2A
SCHEMBL9026532 0.75 AGXT (0.38) SLC9A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9026477 0.75 SLC9A1 (0.36) MAPK1ALDH1A1SLC9A1HTTTDP1
SCHEMBL9025839 0.74 PTGDR2 (0.39) ALDH1A1TDP1MEN1KMT2AMAPT

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 2 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 disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed