SCHEMBL5568182

SCHEMBL5568182

COc1ccc(C(=O)Nc2cnccc2NNC(=O)c2ccc(OC)cc2OCCCNC(=S)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 3/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40

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 0.79 SMN1; SMN2 (0.51) SMN1; SMN2POLBTSHRTDP1PKM
SCHEMBL8267125 0.79 ABCB1 (0.46) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL5571870 0.78 MAPT (0.44) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL8267967 0.78 NPC1 (0.51) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL5571848 0.77 TP53 (0.47) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL5567679 0.77 MAPT (0.49) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL5571532 0.77 MCHR1 (0.45) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL5571850 0.76 RAB9A (0.43) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL8266780 0.75 RAB9A (0.47) TP53MAPK1SMN1; SMN2POLBTSHR
SCHEMBL13725171 0.75 MAPT (0.41) TP53MAPK1SMN1; SMN2POLBTSHR

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