SCHEMBL7745653

SCHEMBL7745653

CCOC(=O)c1cn(Cc2nc3ccccc3n2CCN(C)C)c2c(F)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
PTGER4 P35408 1/20 0.42
CHRM1 P11229 1/20 0.41
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GNRHR P30968 1/20 0.38
TOP2A P11388 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7745656 0.89 TDP1 (0.45) TDP1CHRM1KMT2APOLBPKM
SCHEMBL7746888 0.89 TDP1 (0.45) TDP1CHRM1KMT2APKMALDH1A1
SCHEMBL7746010 0.75 NR4A2 (0.52) POLBALDH1A1TOP2AHDAC1HDAC6
SCHEMBL7745992 0.74 POLB (0.49) PTGER4KMT2APOLBALDH1A1TOP2A
SCHEMBL7115198 0.72 TDP1 (0.55) TDP1CHRM1KMT2APKMTSHR
SCHEMBL7746533 0.72 TDP1 (0.56) TDP1CHRM1KMT2APKMALDH1A1
SCHEMBL3238752 0.71 TDP1 (0.50) TDP1CHRM1KMT2AALDH1A1LMNA
SCHEMBL3238812 0.71 CHRM1 (0.57) TDP1CHRM1POLBGNRHRLMNA
SCHEMBL7747969 0.70 TOP2A (0.46) KMT2APOLBPKMALDH1A1TOP2A
SCHEMBL1481951 0.70 LMNA (0.48) TDP1CHRM1KMT2AALDH1A1MAPK1

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