SCHEMBL370451

SCHEMBL370451

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.53
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 3/20 0.50
KIF11 P52732 5/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
HPGD P15428 1/20 0.44
PLOD1 Q02809 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NAPRT Q6XQN6 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
SCHEMBL503257 0.88 MIF (0.65) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL20546665 0.86 MIF (0.63) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL2291379 0.78 MIF (0.60) MIFCYP2C19HIF1AKIF11CYP3A4
SCHEMBL28132726 0.77 CYP2C19 (0.41) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL7887393 0.77 CYP2C19 (0.60) MIFCYP2C19HIF1AKIF11ALDH1A1
SCHEMBL11615834 0.77 MIF (0.89) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL5929601 0.74 CYP2C19 (0.47) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL9453195 0.74 NAPRT (0.40) MIFCYP2C19HIF1AKIF11CYP1A2
SCHEMBL5580424 0.74 KIF11 (0.48) CYP2C19HIF1AKIF11CYP1A2CYP3A4
SCHEMBL11539617 0.74 KIF11 (0.46) CYP2C19HIF1AKIF11CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed