SCHEMBL7987801

SCHEMBL7987801

COC(=O)c1ccc2c(c1)/C(=C(/Nc1ccccc1)c1ccccc1)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
AURKA O14965 1/20 0.47
RAF1 P04049 1/20 0.47
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7984532 0.92 RAB9A (0.49) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL479876 0.91 RAB9A (0.46) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL2120036 0.91 RAB9A (0.46) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL3152850 0.89 SMN1; SMN2 (0.49) RAB9AKMT2AMEN1POLBL3MBTL1
SCHEMBL3152862 0.89 SMN1; SMN2 (0.49) RAB9AKMT2AMEN1POLBL3MBTL1
SCHEMBL7085728 0.88 PTPN1 (0.44) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL7085734 0.88 PTPN1 (0.44) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL7981209 0.88 PDPK1 (0.41) PDPK1AURKARAF1RAB9AKMT2A
SCHEMBL7980713 0.87 KDM4E (0.45) PDPK1RAB9AKMT2AMEN1HIF1A
SCHEMBL23252123 0.86 ALDH1A1 (0.42) PDPK1AURKARAF1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed