SCHEMBL7746349

SCHEMBL7746349

CC1(C)C(=O)N(Cc2nc3ccccc3n2CCCCF)c2ccccc2S1(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 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
SCHEMBL7746306 0.85 MEN1 (0.42) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7741873 0.82 MEN1 (0.41) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7746316 0.81 MEN1 (0.42) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7745632 0.80 POLB (0.39) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7745593 0.80 CYP3A4 (0.43) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL15587601 0.77 CYP3A4 (0.41) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL6480793 0.75 CES1 (0.45) L3MBTL1MEN1USP2KMT2ATSHR
SCHEMBL6481692 0.74 KMT2A (0.45) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7745584 0.73 TSHR (0.42) L3MBTL1MEN1USP2KMT2APOLB
SCHEMBL7741461 0.73 TSHR (0.48) L3MBTL1MEN1USP2KMT2APOLB

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