SCHEMBL7745656

SCHEMBL7745656

CCOC(=O)c1cn(Cc2nc3ccccc3n2CCCCF)c2c(F)cccc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CHRM1 P11229 1/20 0.41
CNR1 P21554 4/20 0.40
CNR2 P34972 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 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
SCHEMBL7746888 0.89 TDP1 (0.45) TDP1CHRM1CNR1CNR2ALDH1A1
SCHEMBL7745653 0.89 TDP1 (0.45) TDP1CHRM1ALDH1A1PCSK9PKM
SCHEMBL7741914 0.75 ALDH1A1 (0.54) CNR2ALDH1A1RECQLHTTL3MBTL1
SCHEMBL7746367 0.74 ALDH1A1 (0.48) CNR2ALDH1A1RECQLHTTL3MBTL1
SCHEMBL7115198 0.72 TDP1 (0.55) TDP1CHRM1PKMHTTKMT2A
SCHEMBL7746533 0.72 TDP1 (0.56) TDP1CHRM1ALDH1A1PKMHTT
SCHEMBL3238752 0.71 TDP1 (0.50) TDP1CHRM1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3238812 0.71 CHRM1 (0.57) TDP1CHRM1SMN1; SMN2LMNAPOLB
SCHEMBL1481951 0.70 LMNA (0.48) TDP1CHRM1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7746499 0.69 MEN1 (0.42) RECQLL3MBTL1KMT2ASMN1; SMN2POLB

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