SCHEMBL9024890

SCHEMBL9024890

CN=C(N)N(c1cc2ccccc2o1)c1cc(F)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 4/20 0.38
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
KDM4E B2RXH2 2/20 0.38
CACNA1B Q00975 2/20 0.37
APBA1 Q02410 2/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35

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 0.88 HPGD (0.48) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9025661 0.88 TSHR (0.46) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9026139 0.87 RAB9A (0.39) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9026642 0.87 KMT2A (0.39) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9026095 0.84 HPGD (0.43) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9025010 0.84 TSHR (0.39) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9025850 0.83 RAB9A (0.37) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9026343 0.83 KDM4E (0.39) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9026261 0.82 TSHR (0.39) RAB9AKMT2AMEN1NPC1L3MBTL1
SCHEMBL9031688 0.82 KMT2A (0.38) RAB9AKMT2AMEN1NPC1L3MBTL1

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