SCHEMBL9026575

SCHEMBL9026575

CN=C(N)N(c1cc(Cl)ccc1OC)c1occ2cc(Cc3ccccc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
PDE4D Q08499 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LTA4H P09960 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32

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
SCHEMBL9026841 0.86 SHMT2 (0.37) MAPK1KMT2AMEN1POLBTSHR
SCHEMBL9025102 0.83 MAPK1 (0.37) MAPK1KMT2AMEN1POLBMAPT
SCHEMBL9026585 0.81 MAPT (0.36) MAPK1PDE4DKMT2AMEN1POLB
SCHEMBL9025844 0.79 ACLY (0.35) MAPK1KMT2AMEN1POLBMAPT
SCHEMBL9026425 0.78 TSHR (0.35) MAPK1KMT2AMEN1POLBMAPT
SCHEMBL9026856 0.77 SHMT2 (0.35) MAPK1KMT2APOLBMAPTTSHR
SCHEMBL9026248 0.77 TSHR (0.39) PDE4DKMT2AMEN1MAPTTSHR
SCHEMBL9024647 0.77 SLC9A1 (0.39) MAPK1KMT2AMEN1POLBMAPT
SCHEMBL9026385 0.77 CRHR1 (0.35) KMT2AMEN1POLBTSHRALDH1A1
SCHEMBL9026470 0.76 HTT (0.35) MAPTHTTALDH1A1SLC9A1

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