SCHEMBL5580424

SCHEMBL5580424

O=C(O)C(S)CC(c1ccccc1)(c1ccccc1)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 1/20 0.40
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLOD1 Q02809 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL6512676 0.90 KIF11 (0.53) KIF11
SCHEMBL5580632 0.79 KIF11 (0.36) KIF11EPHX2PLOD2PLOD3ALDH1A1
SCHEMBL5580307 0.77 KIF11 (0.38) KIF11MEN1KMT2AEPHX2PLOD2
SCHEMBL370451 0.74 MIF (0.53) KIF11MEN1KMT2AEPHX2PLOD2
SCHEMBL6244820 0.72 KIF11 (0.46) KIF11MEN1KMT2AEPHX2PLOD2
SCHEMBL34261 0.70 KIF11 (0.56) KIF11
SCHEMBL20701939 0.69 KIF11 (0.40) KIF11CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29053899 0.68 KIF11 (0.68) KIF11
SCHEMBL29053902 0.68 KIF11 (0.68) KIF11
SCHEMBL5580188 0.68 KIF11 (0.36) KIF11MEN1KMT2AEPHX2PLOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed
WO-2005024380-A9 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-07-07 WO disclosed
WO-2005024380-A2 METHOD AND SYSTEM FOR ASSAYING TRANSFERASE ACTIVITY GELLIBOLIAN ROBERT (US) 2005-03-17 WO disclosed