SCHEMBL9615037

SCHEMBL9615037

O=C(S)NCCCCCNC(=O)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EPHX1 P07099 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A2 O94788 1/20 0.46
ALDH2 P05091 1/20 0.46
ALDH1A3 P47895 1/20 0.46
PRMT1 Q99873 1/20 0.44
PAOX Q6QHF9 2/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CASP2 P42575 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL12807564 1.00 KDM4E (0.52) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL5932722 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL5933219 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL5932852 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL690004 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL9532818 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL9533596 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL5932682 0.87 EPHX1 (0.67) EPHX1CASP2
SCHEMBL10508380 0.87 KDM4E (0.42) KDM4EMAPK1HIF1AALDH1A1SMN1; SMN2
SCHEMBL11515820 0.84

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-0517881-A1 BITUMEN/POLYMER COMPONENT GIVING BITUMEN/POLYMER COMPOSITIONS WITH VERY LOW HEAT SENSITIVITY FOR USE IN SURFACING. ELF FRANCE (FR) 1992-12-16 EP disclosed
WO-1992011321-A2 BITUMEN/POLYMER COMPONENT GIVING BITUMEN/POLYMER COMPOSITIONS WITH VERY LOW HEAT SENSITIVITY FOR USE IN SURFACING ELF FRANCE (FR) 1992-07-09 WO disclosed