SCHEMBL7745448

SCHEMBL7745448

CS(=O)(=O)CCCn1c(CN2C(=O)/C(=N\OCCF)c3cccnc32)nc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
POLB P06746 2/20 0.35
PTK2B Q14289 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7745795 0.89 MEN1 (0.43) TSHRPOLBMAPTSMN1; SMN2TP53
SCHEMBL7745971 0.87 TP53 (0.34) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL7741391 0.85 CYP3A4 (0.37)
SCHEMBL7745443 0.80 CYP3A4 (0.37) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL7741673 0.80 CYP3A4 (0.43) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL7745784 0.79 CYP3A4 (0.40) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL7746108 0.77 TSHR (0.33) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL7746216 0.77 MAPT (0.38) TSHRPOLBPTK2BMAPTSMN1; SMN2
SCHEMBL6499879 0.76 CNR2 (0.37)
SCHEMBL6499872 0.76 CNR2 (0.37)

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 1 patent. 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