SCHEMBL6563238

SCHEMBL6563238

CNC(=O)/C=C(\c1ccccc1C)c1cc2ccccc2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNJ11 Q14654 1/20 0.35
POLB P06746 1/20 0.35
GPR35 Q9HC97 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL6562104 1.00 PLK1 (0.41) PLK1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL6562099 1.00 PLK1 (0.41) PLK1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL6563174 0.88 PLK1 (0.53) PLK1MEN1KMT2ARXFP1HPGD
SCHEMBL6563179 0.88 PLK1 (0.53) PLK1MEN1KMT2ARXFP1HPGD
SCHEMBL6561794 0.85 PLK1 (0.55) PLK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6561798 0.85 PLK1 (0.55) PLK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6561799 0.85 PLK1 (0.55) PLK1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6560678 0.79 MEN1 (0.42) PLK1MEN1KMT2ARXFP1SMN1; SMN2
SCHEMBL6561769 0.79 NPC1 (0.43) PLK1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL6560689 0.79 MEN1 (0.42) PLK1MEN1KMT2ARXFP1SMN1; SMN2

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