SCHEMBL5571748

SCHEMBL5571748

COc1ccc(C(=O)N(C(=O)c2ccc(OC)cc2OCCCNC(=O)NCCc2cccs2)c2cnccc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BMP1 P13497 2/20 0.40
SLC2A1 P11166 4/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC2A4 P14672 2/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
ROCK2 O75116 1/20 0.37
SLC2A8 Q9NY64 1/20 0.37
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5571917 0.80 SLC2A1 (0.38) TDP1NPC1SLC2A1SLC2A4BCHE
SCHEMBL8266780 0.79 RAB9A (0.47) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL5572721 0.78 HPGD (0.43) TDP1ALDH1A1MAPTNPC1RAB9A
SCHEMBL3186988 0.75 MAPT (0.43) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL3206753 0.75 NPC1 (0.43) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL8267967 0.67 NPC1 (0.51) TSHRMEN1KMT2ATDP1ALDH1A1
SCHEMBL5335198 0.65 RAB9A (0.73) TSHRKMT2AALDH1A1MAPTNPC1
SCHEMBL4921429 0.63 CA12 (0.71) TSHRMEN1KMT2AMAPTNPC1
SCHEMBL5572839 0.63 MKNK1 (0.40) ROCK2
SCHEMBL3206100 0.62 HPGD (0.45) MEN1KMT2AALDH1A1MAPTNPC1

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