SCHEMBL8516735

SCHEMBL8516735

CC(=O)On1c(=O)c(-c2cn(CCCN)c3ccc(OCc4ccccc4)cc23)nc2c(-c3ccccc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.40
CAMK2D Q13557 7/20 0.38
MAOB P27338 1/20 0.36
EGFR P00533 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
SRD5A2 P31213 1/20 0.36
AKR1A1 P14550 1/20 0.36
AKR1B1 P15121 1/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
P2RY14 Q15391 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
SCHEMBL8515918 0.95 IGF1R (0.39) IGF1RCAMK2DMAOBPPARGPPARD
SCHEMBL8516344 0.91 CAMK2D (0.40) CAMK2DKDR
SCHEMBL8516793 0.88 CAMK2D (0.48) CAMK2DKDR
SCHEMBL8515897 0.88 CAMK2D (0.44) CAMK2DKDR
SCHEMBL8365275 0.87 CAMK2D (0.37) CAMK2DKDR
SCHEMBL8362233 0.87 CAMK2D (0.38) IGF1RCAMK2DMAOBEGFRFLT4
SCHEMBL7658242 0.86 MAOB (0.38) IGF1RCAMK2DMAOBEGFRFLT4
SCHEMBL8516977 0.86 CAMK2D (0.46) CAMK2D
SCHEMBL8516993 0.85 CAMK2D (0.37) CAMK2DKDR
SCHEMBL7657833 0.84 MAOB (0.36) IGF1RMAOBEGFRFLT4KDR

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
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed
WO-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed