SCHEMBL6408722

SCHEMBL6408722

CCOc1cccc(-c2cc(OC)c(OC)cc2C=C2C(=O)Nc3ccccc32)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.50
NPC1 O15118 2/20 0.49
CSNK1D P48730 3/20 0.47
CSNK1A1 P48729 3/20 0.47
CSNK1E P49674 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL6396408 0.94 MDM2 (0.56) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6396411 0.94 MDM2 (0.56) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6406388 0.87 ERBB2 (0.52) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6407886 0.85 MDM2 (0.68) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL7243796 0.84 MDM2 (0.54) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6407911 0.83 NPC1 (0.62) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6410986 0.82 MDM2 (0.60) MDM2FLT3ERBB2
SCHEMBL6403896 0.80 ERBB2 (0.58) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6403898 0.80 ERBB2 (0.58) MDM2NPC1CSNK1DCSNK1A1CSNK1E
SCHEMBL6391514 0.77 MDM2 (0.61) MDM2NPC1CSNK1DCSNK1A1CSNK1E

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
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US disclosed