SCHEMBL9252238

SCHEMBL9252238

[CH2]CCCCCCCNC(=N)N

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 1/20 0.61
ALOX15 P16050 1/20 0.50
HIF1A Q16665 2/20 0.38
TSHR P16473 1/20 0.38
ALB P02768 1/20 0.36
SPHK1 Q9NYA1 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
PRSS1 P07477 3/20 0.31
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31
PAOX Q6QHF9 2/20 0.31
ALDH1A1 P00352 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
SCHEMBL181648 1.00 SMN1; SMN2 (0.61) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL181517 0.98
SCHEMBL181630 0.90
SCHEMBL11882788 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL1923256 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL3069140 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL434733 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL3072659 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
SCHEMBL10728151 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15
Synthalin SCHEMBL336302 0.87 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALOX15

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
CN-1045431-C 15-deoxyspergualin analogs, their method of preparation and their use in therapeutics FOURNIER IND & SANTE (FR) 1999-10-06 CN disclosed
US-5476870-A Immunosuppressants FOURNIER INDUSTRIE ET SANTE (FR) 1995-12-19 US disclosed
CN-1095709-A 15-deoxyspergualin analogue, its preparation method and therepic use thereof FOURNIER IND & SANTE (FR) 1994-11-30 CN disclosed