SCHEMBL5567679

SCHEMBL5567679

COc1ccc(C(=O)Nc2cnccc2NC(=O)c2ccc(OC)cc2OCCCN)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
F10 P00742 2/20 0.48
HDAC1 Q13547 1/20 0.48
POLB P06746 4/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
ABCB1 P08183 1/20 0.46
MELK Q14680 1/20 0.45
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
AHR P35869 1/20 0.44
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL5567288 0.94 SMN1; SMN2 (0.51) MAPTPOLBTSHRSMN1; SMN2TDP1
SCHEMBL5571870 0.84 MAPT (0.44) MAPTF10HDAC1POLBTSHR
SCHEMBL8267125 0.83 ABCB1 (0.46) MAPTF10HDAC1POLBTSHR
SCHEMBL5571532 0.82 MCHR1 (0.45) MAPTF10HDAC1POLBTSHR
SCHEMBL8267967 0.82 NPC1 (0.51) MAPTPOLBTSHRSMN1; SMN2TDP1
SCHEMBL5571848 0.81 TP53 (0.47) MAPTF10HDAC1POLBTSHR
SCHEMBL5571850 0.81 RAB9A (0.43) MAPTF10HDAC1POLBTSHR
SCHEMBL3187488 0.81 ALDH1A1 (0.44) MAPTF10HDAC1POLBTSHR
SCHEMBL13725171 0.81 MAPT (0.41) MAPTF10HDAC1POLBTSHR
SCHEMBL8266780 0.79 RAB9A (0.47) MAPTPOLBTSHRSMN1; SMN2TDP1

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-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed