SCHEMBL9975910

SCHEMBL9975910

CCCC(C)C#Cc1cc(C2=C(C3CCC(C)CC3)CCN(C)C2)c(C(N)=O)s1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL10324453 0.92 NR1I2 (0.33)
SCHEMBL19135549 0.84
SCHEMBL9975764 0.79 NR1I2 (0.32)
SCHEMBL10381452 0.76 TP53 (0.30)
SCHEMBL9975905 0.76 NR1I2 (0.34)
SCHEMBL9975788 0.75 NR1I2 (0.46)
SCHEMBL10324389 0.74 NR1I2 (0.35)
SCHEMBL9975853 0.72 ADRA2C (0.34) KMT2A
SCHEMBL10381953 0.71 ADORA1 (0.33) KMT2A
SCHEMBL9975856 0.70 CYP2E1 (0.41)

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
WO-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO disclosed