SCHEMBL9026261

SCHEMBL9026261

CN=C(N)N(c1cc2ccccc2o1)c1cc(-c2cccc(Cl)c2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACLY P53396 4/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
DHPS P49366 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC9A1 P19634 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
FYN P06241 1/20 0.34
NAMPT P43490 1/20 0.34
PTGS2 P35354 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
SCHEMBL9025850 0.92 RAB9A (0.37) TSHRMAPTNPC1SMN1; SMN2ACLY
SCHEMBL9026642 0.90 KMT2A (0.39) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9026343 0.89 KDM4E (0.39) TSHRMAPTNPC1KMT2AMEN1
SCHEMBL9026398 0.88 KDM4E (0.39) TSHRMAPTNPC1SMN1; SMN2ACLY
SCHEMBL9026095 0.87 HPGD (0.43) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9026454 0.86 PTGS2 (0.39) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9025661 0.83 TSHR (0.46) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9026419 0.83 HPGD (0.48) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9024890 0.82 RAB9A (0.39) TSHRMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL9026139 0.82 RAB9A (0.39) TSHRMAPTNPC1SMN1; SMN2KMT2A

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