SCHEMBL3240872

SCHEMBL3240872

CC(C)(C)CC(=O)Cn1cncn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FDPS P14324 1/20 0.41
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5899076 0.82 EGLN3 (0.55) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4291631 0.79 EGLN3 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL1968152 0.78 TSHR (0.47) EGLN3LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7104938 0.76 EGLN3 (0.50) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22234971 0.76 EGLN3 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6656016 0.75 MEN1 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10900681 0.75 EGLN3 (0.49) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5746694 0.75
SCHEMBL11113639 0.74 EGLN3 (0.43) EGLN3LMNACYP1A2CYP3A4CYP2D6
SCHEMBL11096568 0.74 EGLN3 (0.47) EGLN3LMNACYP1A2CYP3A4CYP2D6

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-2010029065-A1 IMIDAZOLE AND TRIAZOLE COMPOUNDS, USE THEREOF AND AGENTS CONTAINING SAID COMPOUNDS BASF SE (DE) 2010-03-18 WO disclosed