SCHEMBL7745648

SCHEMBL7745648

CCOC(=O)c1cn(CC(=O)Nc2ccccc2NCCC(C)C)c2c(F)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 4/20 0.42
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GNRHR P30968 1/20 0.39

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
SCHEMBL7746533 0.77 TDP1 (0.56) TDP1TSHRKDM4EALDH1A1HPGD
SCHEMBL7745926 0.73 TDP1 (0.51) TDP1KDM4EALDH1A1HPGDNPSR1
SCHEMBL7115198 0.72 TDP1 (0.55) TDP1TSHRKDM4ENPC1LMNA
SCHEMBL7746888 0.71 TDP1 (0.45) TDP1TSHRMAPTKDM4EALDH1A1
SCHEMBL11198565 0.69 TDP1 (0.61) TDP1POLBTSHRMAPTKDM4E
SCHEMBL3238812 0.69 CHRM1 (0.57) TDP1POLBLMNASMN1; SMN2GNRHR
SCHEMBL3238752 0.69 TDP1 (0.50) TDP1TP53MAPTKDM4EALDH1A1
SCHEMBL1481951 0.66 LMNA (0.48) TDP1TSHRMAPTKDM4EALDH1A1
SCHEMBL17338593 0.65 NPC1 (0.63) TDP1TP53MAPTALDH1A1NPSR1
SCHEMBL8689497 0.65 L3MBTL1 (0.63) TDP1TP53POLBTSHRMAPT

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