SCHEMBL7746010

SCHEMBL7746010

COC(=O)c1cn(Cc2nc3ccccc3n2CCN(C)C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.52
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 4/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CNR2 P34972 1/20 0.46
CNR1 P21554 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TOP2A P11388 1/20 0.43

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
SCHEMBL7745992 0.89 POLB (0.49) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL9353785 0.81 NR4A2 (0.68) NR4A2ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7747969 0.81 TOP2A (0.46) ALDH1A1POLBL3MBTL1LMNAMAPT
SCHEMBL9353793 0.78 NR4A2 (0.67) NR4A2ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7745653 0.75 TDP1 (0.45) ALDH1A1POLBTSHRLMNASMN1; SMN2
SCHEMBL7746704 0.75 TOP2A (0.55) ALDH1A1GAAPOLBL3MBTL1TSHR
SCHEMBL7741397 0.74 HDAC1 (0.56) ALDH1A1POLBMAPTHDAC1HDAC6
SCHEMBL9540638 0.74 NR4A2 (0.72) NR4A2ALDH1A1GAAPOLBL3MBTL1
SCHEMBL5449197 0.74 NR4A2 (0.57) NR4A2ALDH1A1GAAPOLBL3MBTL1
SCHEMBL7745595 0.72 LMNA (0.65) ALDH1A1POLBLMNASMN1; SMN2

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