SCHEMBL7055873

SCHEMBL7055873

COc1cccnc1OCCOc1cccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 5/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
HPGD P15428 2/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
S1PR4 O95977 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12754892 0.83 TSHR (0.45) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL29695082 0.80
SCHEMBL1445568 0.80
SCHEMBL30196047 0.80 SMN1; SMN2 (0.43) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL19732855 0.78 KDM4E (0.47) L3MBTL1RAB9AMEN1KMT2ALMNA
SCHEMBL8241004 0.78 NPC1 (0.49) L3MBTL1RAB9AMEN1KMT2ALMNA
SCHEMBL5700264 0.76 CYP2C9 (0.50) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL27863637 0.75 SLC6A2 (0.50) L3MBTL1RAB9AMEN1KMT2ALMNA
SCHEMBL30196076 0.75 SLC6A2 (0.50) L3MBTL1RAB9AMEN1KMT2ALMNA
Cyanide SCHEMBL28048133 0.75 NFE2L2 (0.46) L3MBTL1RAB9AMEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed