SCHEMBL5571850

SCHEMBL5571850

COc1ccc(C(=O)Nc2cnccc2NC(=O)c2ccc(OC)cc2OCCCNC(=O)c2[nH]ccc2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BRAF P15056 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 1/20 0.39
HDAC1 Q13547 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
LMNA P02545 1/20 0.39
AHR P35869 1/20 0.39
HPGD P15428 1/20 0.39
GSK3A P49840 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
SCHEMBL5573477 0.84 SMN1; SMN2 (0.38) RAB9APOLBTDP1TP53MAPK1
SCHEMBL5571532 0.82 MCHR1 (0.45) RAB9APOLBTDP1TP53MAPK1
SCHEMBL5571870 0.82 MAPT (0.44) RAB9APOLBTDP1TP53MAPK1
SCHEMBL8267967 0.82 NPC1 (0.51) RAB9APOLBTDP1TP53MAPK1
SCHEMBL5567679 0.81 MAPT (0.49) RAB9APOLBTDP1TP53MAPK1
SCHEMBL5571848 0.81 TP53 (0.47) RAB9APOLBTDP1TP53MAPK1
SCHEMBL8267125 0.79 ABCB1 (0.46) RAB9APOLBTDP1TP53MAPK1
SCHEMBL13725171 0.79 MAPT (0.41) RAB9APOLBTDP1TP53MAPK1
SCHEMBL8266780 0.78 RAB9A (0.47) RAB9APOLBTDP1TP53MAPK1
SCHEMBL5567288 0.76 SMN1; SMN2 (0.51) RAB9APOLBTDP1MAPTPKM

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