SCHEMBL618772

SCHEMBL618772

C=CCN(CC=C)CCCOC(C)=S

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL620653 0.89 KDM4E (0.39) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL618746 0.81 ALDH1A1 (0.45) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL2051778 0.77 TSHR (0.50) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL29163492 0.76 ALDH1A1 (0.44) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL611273 0.76 CHRM2 (0.40) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL619143 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14258960 0.76 KDM4E (0.36) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL17699115 0.75 KDM4E (0.38) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL85759 0.74 ALDH1A1 (0.59) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL12717294 0.74 KDM4E (0.42) KDM4EALDH1A1TDP1KMT2AMEN1

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-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed