SCHEMBL9026534

SCHEMBL9026534

CN=C(N)N(c1cc(Cl)ccc1OC(C)C)c1occ2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
MAP2 P11137 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSPO P30536 1/20 0.31
SHMT2 P34897 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR8 Q9NR97 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
SCHEMBL9026841 0.90 SHMT2 (0.37) SLC9A1SHMT2MEN1NPC1POLB
SCHEMBL9026425 0.87 TSHR (0.35) SLC9A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL9025860 0.84 MAOA (0.32)
SCHEMBL9025563 0.84 GRM2 (0.32) MAPTMEN1KMT2A
SCHEMBL9025844 0.82 ACLY (0.35) SLC9A1MAPTSHMT2MEN1NPC1
SCHEMBL9032006 0.82 CYP1A2 (0.36) SLC9A1MAP2IRAK4CYP1A2MAPT
SCHEMBL9025570 0.81 CCR2 (0.31)
SCHEMBL9026248 0.81 TSHR (0.39) SLC9A1CYP1A2MAPTMEN1NPC1
SCHEMBL9026385 0.80 CRHR1 (0.35) SLC9A1SHMT2MEN1NPC1POLB
SCHEMBL9026539 0.78 SLC9A1 (0.37) SLC9A1MAP2IRAK4CYP1A2MAPT

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