SCHEMBL3519342

SCHEMBL3519342

CC=CC(N=C=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1047388 0.77 CYP2C19 (0.35) MIFMEN1KMT2A
SCHEMBL29812875 0.77 CYP2D6 (0.35) MIF
SCHEMBL1563451 0.76 TRPA1 (0.36) MIFKMT2A
Formic Acid SCHEMBL1162475 0.71 CYP2D6 (0.35) MIFMEN1KMT2A
SCHEMBL1162464 0.71 CYP2C19 (0.35) MIFMEN1KMT2A
SCHEMBL28429021 0.70 CYP2C19 (0.34) MIFMEN1KMT2A
Phosphonic Acid SCHEMBL1162520 0.70 CYP2C19 (0.34) MIFMEN1KMT2A
SCHEMBL7980 0.70 MIF (0.63) MIF
SCHEMBL211770 0.70 MIF (0.63) MIF
SCHEMBL6583 0.70 MIF (0.63) MIF

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
EP-2254925-A1 COARSE-CELL POLYURETHANE ELASTOMERS BASF SE (DE) 2010-12-01 EP disclosed
WO-2009112576-A1 COARSE-CELL POLYURETHANE ELASTOMERS BASF SE (DE) 2009-09-17 WO disclosed
US-6294158-B1 HAIR GELS. L'OREAL (FR) 2001-09-25 US disclosed