SCHEMBL5567288

SCHEMBL5567288

COc1ccc(C(=O)Nc2ccncc2NC(=O)c2ccccc2)c(OCCCN)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 3/20 0.51
TSHR P16473 1/20 0.51
MELK Q14680 2/20 0.50
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4C Q9H3R0 2/20 0.45
KDM4D Q6B0I6 1/20 0.45
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL5567679 0.94 MAPT (0.49) SMN1; SMN2POLBTSHRMELKMAPT
SCHEMBL8267125 0.81 ABCB1 (0.46) SMN1; SMN2POLBTSHRMAPTLMNA
SCHEMBL5568182 0.79 TP53 (0.43) SMN1; SMN2POLBTSHRMAPTLMNA
SCHEMBL5571870 0.79 MAPT (0.44) SMN1; SMN2POLBTSHRMAPTTDP1
SCHEMBL8267967 0.79 NPC1 (0.51) SMN1; SMN2POLBTSHRMAPTLMNA
SCHEMBL5571848 0.78 TP53 (0.47) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL5571532 0.77 MCHR1 (0.45) SMN1; SMN2POLBTSHRMAPTTDP1
SCHEMBL5571850 0.76 RAB9A (0.43) SMN1; SMN2POLBTSHRMAPTLMNA
SCHEMBL8266780 0.76 RAB9A (0.47) SMN1; SMN2POLBTSHRMAPTALDH1A1
SCHEMBL13725171 0.76 MAPT (0.41) SMN1; SMN2POLBTSHRMAPTTDP1

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