SCHEMBL12467683

SCHEMBL12467683

CSCC1CNC(CC(C)C)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC8 Q9BY41 2/20 0.30
MEN1 O00255 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
SCHEMBL11902486 1.00 LMNA (0.32) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL23008110 0.88 MMP3 (0.32) HDAC8MEN1KMT2A
SCHEMBL11902134 0.85 MEN1 (0.36) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11902192 0.85 MEN1 (0.36) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11902882 0.79 GHSR (0.34) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11902296 0.79 GHSR (0.34) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11902791 0.78 LMNA (0.35) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11902055 0.78 LMNA (0.35) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL11903381 0.78 LMNA (0.32) LMNACYP3A4GAACYP2C9CYP2C19
SCHEMBL14952776 0.76 MEN1 (0.34) LMNACYP3A4GAACYP2C9CYP2C19

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-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO disclosed