SCHEMBL6561772

SCHEMBL6561772

CNC(=O)C=C(Cc1ccc(OC)cc1)c1cc2ccccc2c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
NPC1 O15118 4/20 0.43
PTPN1 P18031 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL6560672 0.87 CACNA1B (0.52) POLBNPC1PTPN1USP2TP53
SCHEMBL6561769 0.81 NPC1 (0.43) POLBNPC1TP53MEN1KMT2A
SCHEMBL6561831 0.81 NPC1 (0.43) POLBNPC1TP53MEN1KMT2A
SCHEMBL6560700 0.81 NPC1 (0.51) POLBNPC1USP2TP53MEN1
SCHEMBL6561872 0.74 ALDH1A1 (0.52) POLBNPC1TP53MEN1KMT2A
SCHEMBL6563174 0.70 PLK1 (0.53) POLBNPC1PTPN1MEN1KMT2A
SCHEMBL6563179 0.70 PLK1 (0.53) POLBNPC1PTPN1MEN1KMT2A
SCHEMBL6562099 0.69 PLK1 (0.41) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL6563238 0.69 PLK1 (0.41) POLBNPC1MEN1KMT2AALDH1A1
SCHEMBL6562104 0.69 PLK1 (0.41) POLBNPC1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944581-A4 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES LILLY CO ELI (US) 2004-09-08 EP disclosed
EP-0944581-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1999-09-29 EP disclosed
WO-1998022429-A1 PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES ELI LILLY AND COMPANY (US) 1998-05-28 WO disclosed