SCHEMBL7746216

SCHEMBL7746216

CO/N=C1/C(=O)N(Cc2nc3ccccc3n2CCCC#N)c2ncccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TSHR P16473 4/20 0.37
PTK2B Q14289 1/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 4/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MYLK Q15746 1/20 0.34
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL7741271 0.89 SMN1; SMN2 (0.37) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7745971 0.89 TP53 (0.34) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7741673 0.88 CYP3A4 (0.43) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7746104 0.88 TSHR (0.35) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7746108 0.88 TSHR (0.33) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7745795 0.77 MEN1 (0.43) MAPTTSHRPOLBTP53SMN1; SMN2
SCHEMBL7745448 0.77 TSHR (0.35) MAPTTSHRPTK2BPOLBTP53
SCHEMBL7745784 0.76 CYP3A4 (0.40) MAPTTSHRPTK2BPOLBTP53
SCHEMBL8363907 0.76 ALDH1A1 (0.43) MAPTTSHRPTK2BPOLBTP53
SCHEMBL8366756 0.76 ALDH1A1 (0.38) MAPTTSHRPTK2BPOLBTP53

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