SCHEMBL11113639

SCHEMBL11113639

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FDPS P14324 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL1968152 0.77 TSHR (0.47) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18210642 0.76 FDPS (0.42) EGLN3CYP3A4CYP2C19KMT2AFDPS
SCHEMBL3240872 0.74 EGLN3 (0.44) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL5746694 0.74
SCHEMBL5899076 0.73 EGLN3 (0.55) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL10816033 0.72 EGLN3 (0.43) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL12057496 0.72 CYP1A2 (0.51) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11096568 0.72 EGLN3 (0.47) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL10729444 0.71 EGLN3 (0.42) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL10363553 0.71 MEN1 (0.46) EGLN3CYP3A4CYP1A2CYP2D6CYP2C19

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
EP-0102163-A1 Triazole derivatives and compositions containing the same CHEVRON RESEARCH COMPANY (US) 1984-03-07 EP disclosed