SCHEMBL7747083

SCHEMBL7747083

CCOC(=O)Cn1c(=O)c2ccccc2n(Cc2nc3ccccc3n2CCC(C)C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 3/20 0.52
TSHR P16473 2/20 0.52
HPGD P15428 2/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.44
CTNNB1 P35222 1/20 0.44
TNF P01375 1/20 0.44

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
SCHEMBL7741764 0.88 TSHR (0.52) KDM4EALDH1A1TSHRMAPK1MEN1
SCHEMBL3825708 0.74 TSHR (0.57) KDM4EALDH1A1TSHRHPGDMAPK1
SCHEMBL7740559 0.74 NOD2 (0.56) KDM4EALDH1A1TSHRHPGDMAPK1
SCHEMBL3827074 0.74 TSHR (0.56) TSHRMAPK1MAPTHTTMEN1
SCHEMBL9049818 0.73 KMT2A (0.59) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL7879899 0.72 MEN1 (0.44) TSHRMAPK1MAPTMEN1KMT2A
SCHEMBL10487900 0.72 MEN1 (0.72) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL3823382 0.72 TSHR (0.56) KDM4EALDH1A1TSHRHPGDMAPK1
SCHEMBL16696069 0.71 TSHR (0.46) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL7740507 0.71 MAPK1 (0.68) KDM4EALDH1A1TSHRMAPK1MAPT

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-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed