SCHEMBL9026095

SCHEMBL9026095

CN=C(N)N(c1cc2ccccc2o1)c1cc(-c2ccc(C)cc2)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NAMPT P43490 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALOX5 P09917 1/20 0.33
OPRM1 P35372 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL9026419 0.92 HPGD (0.48) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9025850 0.91 RAB9A (0.37) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026343 0.88 KDM4E (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026261 0.87 TSHR (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026454 0.85 PTGS2 (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9025661 0.85 TSHR (0.46) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026139 0.84 RAB9A (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026642 0.84 KMT2A (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9024890 0.84 RAB9A (0.39) HPGDKDM4ETSHRHSD17B10RAB9A
SCHEMBL9026798 0.83 KDM4E (0.39) HPGDKDM4ETSHRHSD17B10RAB9A

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