SCHEMBL14279596

SCHEMBL14279596

COC(=O)/C=C1\NCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL6485271 0.81 PDPK1 (0.53) PDPK1PARP1PARP10PARP11TSHR
SCHEMBL6485267 0.81 PDPK1 (0.53) PDPK1PARP1PARP10PARP11TSHR
SCHEMBL6485264 0.81 PDPK1 (0.53) PDPK1PARP1PARP10PARP11TSHR
SCHEMBL5126940 0.80 PDPK1 (0.51) PDPK1PARP1PARP10PARP11KMT2A
SCHEMBL30835693 0.73 MAPT (0.54) KMT2AMEN1MAPTHTTKDM4E
SCHEMBL11573071 0.72 EGFR (0.40) TSHRMAPTHTTRAB9A
SCHEMBL11573068 0.72 EGFR (0.40) TSHRMAPTHTTRAB9A
SCHEMBL11573060 0.72 EGFR (0.40) TSHRMAPTHTTRAB9A
SCHEMBL2552644 0.70 PARP10 (0.56) PDPK1PARP1PARP10PARP11TUBB4A
SCHEMBL14279579 0.70 LMNA (0.49) KMT2AMEN1MAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed