SCHEMBL668904

SCHEMBL668904

C=CC1CC1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
LTC4S Q16873 1/20 0.30

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
SCHEMBL8009230 1.00 KMT2A (0.31) KMT2ALTC4S
SCHEMBL883057 1.00 KMT2A (0.31) KMT2ALTC4S
Hydrochloric Acid SCHEMBL4601840 0.98 KMT2A (0.30) KMT2A
SCHEMBL8130074 0.85 KMT2A (0.33) KMT2A
SCHEMBL8206048 0.80
SCHEMBL8228972 0.79
SCHEMBL14202599 0.78 LTC4S (0.30) LTC4S
SCHEMBL12207984 0.77 CA12 (0.41)
SCHEMBL8141091 0.77
SCHEMBL8272281 0.75 CA1 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2606038-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-06-26 EP disclosed
WO-2012024373-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-23 WO disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed