SCHEMBL7746316

SCHEMBL7746316

O=C1CS(=O)(=O)c2ccccc2N1Cc1nc2ccccc2n1CCCCF

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
CXCR4 P61073 1/20 0.36
RECQL P46063 1/20 0.35
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 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
SCHEMBL7741428 0.84 TSHR (0.52) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL7746306 0.82 MEN1 (0.42) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL6481692 0.81 KMT2A (0.45) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL7746349 0.81 L3MBTL1 (0.41) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL7745593 0.81 CYP3A4 (0.43) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL7741873 0.80 MEN1 (0.41) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL7741461 0.80 TSHR (0.48) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL15587601 0.78 CYP3A4 (0.41) MEN1KMT2AUSP2L3MBTL1POLB
SCHEMBL6480793 0.76 CES1 (0.45) MEN1KMT2AUSP2L3MBTL1TSHR
SCHEMBL7745584 0.72 TSHR (0.42) MEN1KMT2AUSP2L3MBTL1POLB

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