SCHEMBL7746259

SCHEMBL7746259

C=CCO/N=C1\C(=O)N(Cc2nc3ccccc3n2CCCS(C)(=O)=O)c2cnccc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.32
PTK2B Q14289 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7741391 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL7745730 0.80 DRD2 (0.34) CYP3A4TSHRPTK2B
SCHEMBL7741398 0.78 CYP3A4 (0.50) CYP3A4TSHRPTK2BMEN1KMT2A
SCHEMBL7745821 0.77 CYP3A4 (0.48) CYP3A4TSHRMEN1KMT2A
SCHEMBL8363984 0.77 CYP3A4 (0.39) CYP3A4TSHRPTK2BMEN1USP2
SCHEMBL7746706 0.75 CYP3A4 (0.40) CYP3A4TSHRMEN1KMT2A
SCHEMBL8363985 0.74 CYP3A4 (0.40) CYP3A4MEN1KMT2A
SCHEMBL7745448 0.74 TSHR (0.35) TSHRPTK2BMEN1USP2KMT2A
SCHEMBL7741750 0.73 CYP3A4 (0.44) CYP3A4TSHRPTK2BMEN1USP2
SCHEMBL7745843 0.73 CYP3A4 (0.38) CYP3A4TSHRPTK2BMEN1USP2

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