SCHEMBL7746306

SCHEMBL7746306

CN1C(=O)N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 5/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
PTK2B Q14289 1/20 0.36
HPGD P15428 1/20 0.36
CXCR4 P61073 1/20 0.36

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
SCHEMBL7745593 0.87 CYP3A4 (0.43) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL7746853 0.86 MEN1 (0.41) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL7746349 0.85 L3MBTL1 (0.41) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL15587601 0.83 CYP3A4 (0.41) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL7741873 0.82 MEN1 (0.41) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL7746316 0.82 MEN1 (0.42) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL6480793 0.76 CES1 (0.45) MEN1USP2KMT2AL3MBTL1TSHR
SCHEMBL6481692 0.75 KMT2A (0.45) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL7745584 0.74 TSHR (0.42) MEN1USP2KMT2AL3MBTL1POLB
SCHEMBL15587600 0.74 CYP3A4 (0.40) MEN1USP2KMT2AL3MBTL1POLB

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