SCHEMBL5580307

SCHEMBL5580307

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.38
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
HIF1A Q16665 2/20 0.32
PLOD2 O00469 1/20 0.32
PLOD3 O60568 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
HPGD P15428 1/20 0.32
PLOD1 Q02809 1/20 0.32
NOTUM Q6P988 1/20 0.31
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL1975054 0.90 KIF11 (0.37) KIF11CYP2C19HIF1A
SCHEMBL5580424 0.77 KIF11 (0.48) KIF11CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL6242129 0.72 KIF11 (0.39) KIF11SLC6A3SLC6A2SLC6A4CYP1A2
SCHEMBL11539617 0.67 KIF11 (0.46) KIF11CYP11B1CYP11B2SLC6A3SLC6A2
SCHEMBL5580632 0.67 KIF11 (0.36) KIF11CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL370451 0.67 MIF (0.53) KIF11CYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL6244820 0.66 KIF11 (0.46) KIF11CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6035957 0.65 KIF11 (0.44) KIF11LMNA
SCHEMBL20701939 0.65 KIF11 (0.40) KIF11CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL9555492 0.65 KIF11 (0.37) KIF11CYP2C19HIF1AALDH1A1

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
US-20070264667-A1 Method and system for assaying transferase activity GELLIBOLIAN ROBERT 2007-11-15 US disclosed