SCHEMBL20658191

SCHEMBL20658191

CCCCCCCCN(C#CN(CCCCCCCC)CCCCCCCC)CCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.52
TSHR P16473 3/20 0.47
THRB P10828 1/20 0.47
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GBA1 P04062 1/20 0.38
MGLL Q99685 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL20658179 0.89 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL20658200 0.88 TSHR (0.38) DNM1TSHRTHRBCA12CA1
SCHEMBL8519896 0.87 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL4551760 0.83 EPHX2 (0.46) DNM1TSHRTHRBALDH1A1MEN1
SCHEMBL20411209 0.83 DNM1 (0.42) DNM1TSHRTHRBCA12CA1
SCHEMBL11667597 0.78 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL8520421 0.78 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL3296101 0.78 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL7704071 0.78 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL276847 0.78 DNM1 (0.48) DNM1TSHRTHRBCA12CA1

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
US-10711075-B2 Method of preparing rubber composition including syndiotactic 1,2-polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2020-07-14 US disclosed
US-20190023815-A1 METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2019-01-24 US disclosed