SCHEMBL7747488

SCHEMBL7747488

C=C(OCC)c1cc2ccccc2n(Cc2nc3ccccc3n2CCCCF)c1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 4/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7745691 0.85 SMN1; SMN2 (0.47) SMN1; SMN2TP53POLBTSHRMEN1
SCHEMBL7746911 0.81 MEN1 (0.45) SMN1; SMN2MAPTTP53GAAPOLB
SCHEMBL7745921 0.78 MEN1 (0.41) SMN1; SMN2MAPTTP53POLBTSHR
SCHEMBL7745935 0.78 MEN1 (0.39) SMN1; SMN2MAPTTP53GAAPOLB
SCHEMBL7741914 0.76 ALDH1A1 (0.54) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL7746367 0.75 ALDH1A1 (0.48) SMN1; SMN2MAPTPOLBMEN1KMT2A
SCHEMBL7741901 0.74 POLB (0.44) SMN1; SMN2MAPTTP53GAAPOLB
SCHEMBL7746317 0.70 MEN1 (0.43) SMN1; SMN2MAPTTP53GAAPOLB
SCHEMBL7746351 0.69 FEN1 (0.44) SMN1; SMN2MAPTTP53POLBMEN1
SCHEMBL7745656 0.69 TDP1 (0.45) SMN1; SMN2POLBKMT2AL3MBTL1CNR1

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