SCHEMBL14335656

SCHEMBL14335656

CCN(C)C(=O)N=NC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
MAPT P10636 1/20 0.46
APEX1 P27695 1/20 0.46
PMP22 Q01453 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
EHMT2 Q96KQ7 1/20 0.46
EHMT1 Q9H9B1 1/20 0.46

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
SCHEMBL293386 0.80 ALDH1A1 (0.72) HSD17B10ALDH1A1TSHRNFKB1THPO
SCHEMBL11800451 0.80 ALDH1A1 (0.72) HSD17B10ALDH1A1TSHRNFKB1THPO
SCHEMBL8095687 0.79 ALDH1A1 (0.48) HSD17B10ALDH1A1TSHRNFKB1THPO
E927A SCHEMBL9879506 0.72 ALDH1A1 (0.67) HSD17B10ALDH1A1TSHRPMP22CYP3A4
SCHEMBL11650184 0.71 ALDH1A1 (0.43) HSD17B10ALDH1A1TSHRNFKB1THPO
SCHEMBL968736 0.70
SCHEMBL5459979 0.69
SCHEMBL293056 0.69
SCHEMBL132908 0.69 DPP4 (0.47) HSD17B10ALDH1A1CYP3A4HPGDEHMT2
SCHEMBL22379984 0.69 ALDH1A1 (0.37) HSD17B10ALDH1A1MAPTCYP3A4HPGD

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
WO-2012175725-A1 SOLUTION POLYMERIZATION/CO-POLYMERIZATION OF DIENES, HYDROGENATION OF DIENERUBBERS AND HYDROGENATED DIENERUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2012-12-27 WO claimed
WO-2012175725-A1 SOLUTION POLYMERIZATION/CO-POLYMERIZATION OF DIENES, HYDROGENATION OF DIENERUBBERS AND HYDROGENATED DIENERUBBERS LANXESS DEUTSCHLAND GMBH (DE) 2012-12-27 WO disclosed